# command:# Prefix for input files set to /projects/kestrel/users/karplus/burial/undertaker/spots/ # command:# ReadVDW initial.radii # command:Reading spots from dunbrack-925-wet-6.5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # command:# reading histogram from smoothed-dunbrack-925-wet-6.5.hist # command:Reading spots from dunbrack-925-dry-12.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # command:# reading histogram from smoothed-dunbrack-925-dry-12.hist # command:Setting costs from histograms # command:# Prefix for input files set to /projects/kestrel/users/karplus/burial/undertaker/atoms-inputs/ # command:# reading dunbrack-925.atoms.gz # After reading dunbrack-925.atoms.gz have 925 chains in training database # command:# fragment library contains # type length num_fragments num_indexes_used # n-terminus 1 849 20 (100%) # n-terminus 2 842 253 (63.25%) # middle 1 205367 20 (100%) # middle 2 203845 400 (100%) # middle 3 202366 7929 (99.1125%) # middle 4 200913 88584 (55.365%) # c-terminus 1 862 20 (100%) # c-terminus 2 216 148 (37%) # ss-bonds 650 # command:# Reading rotamer library from dunbrack-925.rot # command:# Score parameters set to # sidechain_weight 1 # clash_penalty 30 nats/clash # ss_bond_bonus 10 # known_ss_bond_bonus 10 # chain_break_penalty 50 nats/Angstrom # wet_spot_weight 2 # dry_spot_weight 50 # command:# Prefix for input files set to # command:Created new target T0097 from ../T0097.seq # command:# Will now start reporting scores to t97-6.5w-12d.rdb # command:# created fragments for T0097 from 1a4mA-T0097-fssp-global.index # command:# created fragments for T0097 from 1aj8A-T0097-fssp-global.index # command:# created fragments for T0097 from 1bpwA-T0097-fssp-global.index # command:# created fragments for T0097 from 1bpwA-T0097-local.index # command:# created fragments for T0097 from 1cunA-T0097-fssp-global.index # command:# created fragments for T0097 from 1cunA-T0097-local.index # command:# created fragments for T0097 from 1elrA-T0097-local.index # command:# created fragments for T0097 from 1ncx-T0097-fssp-global.index # command:# created fragments for T0097 from 1ncx-T0097-local.index # command:# created fragments for T0097 from 1pbwA-T0097-fssp-global.index # command:# created fragments for T0097 from 1pbwA-T0097-local.index # command:# created fragments for T0097 from 1qsdA-T0097-fssp-global.index # command:# created fragments for T0097 from 1quuA-T0097-fssp-global.index # command:# created fragments for T0097 from 1quuA-T0097-local.index # command:# created fragments for T0097 from 1sig-T0097-fssp-global.index # command:# created fragments for T0097 from 1sig-T0097-local.index # command:# created fragments for T0097 from 2spcA-T0097-fssp-global.index # command:# created fragments for T0097 from T0097-1a1iA.3.3.index # command:# created fragments for T0097 from T0097-1a4mA-local.index # command:# created fragments for T0097 from T0097-1ail.78.5.index # command:# created fragments for T0097 from T0097-1ail.79.5.index # command:# created fragments for T0097 from T0097-1aj8A-local.index # command:# created fragments for T0097 from T0097-1ay7B.71.1.index # command:# created fragments for T0097 from T0097-1ay7B.72.2.index # command:# created fragments for T0097 from T0097-1ay7B.73.3.index # command:# created fragments for T0097 from T0097-1ay7B.74.2.index # command:# created fragments for T0097 from T0097-1ay7B.74.4.index # command:# created fragments for T0097 from T0097-1ay7B.75.3.index # command:# created fragments for T0097 from T0097-1ay7B.76.3.index # command:# created fragments for T0097 from T0097-1ay7B.77.4.index # command:# created fragments for T0097 from T0097-1ay7B.78.3.index # command:# created fragments for T0097 from T0097-1ayfA.73.5.index # command:# created fragments for T0097 from T0097-1ayfA.74.3.index # command:# created fragments for T0097 from T0097-1ayfA.75.2.index # command:# created fragments for T0097 from T0097-1ayfA.76.2.index # command:# created fragments for T0097 from T0097-1ayfA.77.3.index # command:# created fragments for T0097 from T0097-1ayfA.78.4.index # command:# created fragments for T0097 from T0097-1ayfA.79.3.index # command:# created fragments for T0097 from T0097-1ayfA.80.3.index # command:# created fragments for T0097 from T0097-1ayfA.81.2.index # command:# created fragments for T0097 from T0097-1ayfA.82.4.index # command:# created fragments for T0097 from T0097-1ayfA.83.2.index # command:# created fragments for T0097 from T0097-1ayfA.85.5.index # command:# created fragments for T0097 from T0097-1ayfA.86.4.index # command:# created fragments for T0097 from T0097-1az9.43.3.index # command:# created fragments for T0097 from T0097-1az9.44.2.index # command:# created fragments for T0097 from T0097-1az9.45.0.index # command:# created fragments for T0097 from T0097-1az9.46.0.index # command:# created fragments for T0097 from T0097-1az9.46.5.index # command:# created fragments for T0097 from T0097-1az9.47.0.index # command:# created fragments for T0097 from T0097-1az9.47.3.index # command:# created fragments for T0097 from T0097-1az9.48.0.index # command:# created fragments for T0097 from T0097-1az9.48.2.index # command:# created fragments for T0097 from T0097-1az9.49.0.index # command:# created fragments for T0097 from T0097-1az9.50.0.index # command:# created fragments for T0097 from T0097-1az9.51.0.index # command:# created fragments for T0097 from T0097-1az9.52.0.index # command:# created fragments for T0097 from T0097-1az9.53.1.index # command:# created fragments for T0097 from T0097-1az9.54.5.index # command:# created fragments for T0097 from T0097-1b0yA.10.1.index # command:# created fragments for T0097 from T0097-1b0yA.11.4.index # command:# created fragments for T0097 from T0097-1b0yA.12.5.index # command:# created fragments for T0097 from T0097-1b0yA.4.3.index # command:# created fragments for T0097 from T0097-1b0yA.4.5.index # command:# created fragments for T0097 from T0097-1b0yA.5.3.index # command:# created fragments for T0097 from T0097-1b0yA.5.5.index # command:# created fragments for T0097 from T0097-1b0yA.6.2.index # command:# created fragments for T0097 from T0097-1b0yA.6.5.index # command:# created fragments for T0097 from T0097-1b0yA.7.2.index # command:# created fragments for T0097 from T0097-1b0yA.7.3.index # command:# created fragments for T0097 from T0097-1b0yA.8.0.index # command:# created fragments for T0097 from T0097-1b0yA.8.2.index # command:# created fragments for T0097 from T0097-1b0yA.9.0.index # command:# created fragments for T0097 from T0097-1b0yA.9.2.index # command:# created fragments for T0097 from T0097-1bbpA.17.1.index # command:# created fragments for T0097 from T0097-1bbpA.18.4.index # command:# created fragments for T0097 from T0097-1bdmA.0.3.index # command:# created fragments for T0097 from T0097-1bdmA.0.5.index # command:# created fragments for T0097 from T0097-1bec.47.5.index # command:# created fragments for T0097 from T0097-1bec.48.3.index # command:# created fragments for T0097 from T0097-1bec.49.3.index # command:# created fragments for T0097 from T0097-1bec.49.4.index # command:# created fragments for T0097 from T0097-1bec.50.2.index # command:# created fragments for T0097 from T0097-1bec.50.4.index # command:# created fragments for T0097 from T0097-1bec.51.1.index # command:# created fragments for T0097 from T0097-1bec.52.3.index # command:# created fragments for T0097 from T0097-1bkcE.68.5.index # command:# created fragments for T0097 from T0097-1bkcE.69.0.index # command:# created fragments for T0097 from T0097-1bkcE.70.1.index # command:# created fragments for T0097 from T0097-1bkcE.70.5.index # command:# created fragments for T0097 from T0097-1bkcE.71.3.index # command:# created fragments for T0097 from T0097-1bkpA.30.3.index # command:# created fragments for T0097 from T0097-1bkpA.31.2.index # command:# created fragments for T0097 from T0097-1bkpA.31.3.index # command:# created fragments for T0097 from T0097-1bkpA.32.2.index # command:# created fragments for T0097 from T0097-1bkpA.32.4.index # command:# created fragments for T0097 from T0097-1bkpA.33.2.index # command:# created fragments for T0097 from T0097-1bkpA.33.3.index # command:# created fragments for T0097 from T0097-1bkpA.34.2.index # command:# created fragments for T0097 from T0097-1bkpA.34.4.index # command:# created fragments for T0097 from T0097-1bkpA.35.3.index # command:# created fragments for T0097 from T0097-1bkpA.35.5.index # command:# created fragments for T0097 from T0097-1bkpA.42.4.index # command:# created fragments for T0097 from T0097-1bqcA.2.3.index # command:# created fragments for T0097 from T0097-1burS.76.5.index # command:# created fragments for T0097 from T0097-1bxaA.65.5.index # command:# created fragments for T0097 from T0097-1bxaA.66.0.index # command:# created fragments for T0097 from T0097-1bxaA.67.0.index # command:# created fragments for T0097 from T0097-1bxaA.67.1.index # command:# created fragments for T0097 from T0097-1bxaA.68.0.index # command:# created fragments for T0097 from T0097-1bxaA.68.1.index # command:# created fragments for T0097 from T0097-1bxaA.69.1.index # command:# created fragments for T0097 from T0097-1bxaA.69.3.index # command:# created fragments for T0097 from T0097-1bxaA.70.0.index # command:# created fragments for T0097 from T0097-1bxaA.71.0.index # command:# created fragments for T0097 from T0097-1bxaA.71.5.index # command:# created fragments for T0097 from T0097-1bxaA.72.0.index # command:# created fragments for T0097 from T0097-1bxaA.72.1.index # command:# created fragments for T0097 from T0097-1bxaA.72.4.index # command:# created fragments for T0097 from T0097-1bxaA.73.0.index # command:# created fragments for T0097 from T0097-1bxaA.73.1.index # command:# created fragments for T0097 from T0097-1bxaA.74.0.index # command:# created fragments for T0097 from T0097-1bxaA.74.1.index # command:# created fragments for T0097 from T0097-1bxaA.75.0.index # command:# created fragments for T0097 from T0097-1bxaA.75.1.index # command:# created fragments for T0097 from T0097-1bxaA.75.5.index # command:# created fragments for T0097 from T0097-1bxaA.76.0.index # command:# created fragments for T0097 from T0097-1bxaA.76.1.index # command:# created fragments for T0097 from T0097-1bxaA.76.4.index # command:# created fragments for T0097 from T0097-1bxaA.77.0.index # command:# created fragments for T0097 from T0097-1bxaA.77.1.index # command:# created fragments for T0097 from T0097-1bxaA.77.2.index # command:# created fragments for T0097 from T0097-1bxaA.77.5.index # command:# created fragments for T0097 from T0097-1bxaA.78.0.index # command:# created fragments for T0097 from T0097-1bxaA.78.1.index # command:# created fragments for T0097 from T0097-1bxaA.78.2.index # command:# created fragments for T0097 from T0097-1bxaA.79.0.index # command:# created fragments for T0097 from T0097-1bxaA.79.1.index # command:# created fragments for T0097 from T0097-1bxaA.79.2.index # command:# created fragments for T0097 from T0097-1bxaA.80.0.index # command:# created fragments for T0097 from T0097-1bxaA.80.1.index # command:# created fragments for T0097 from T0097-1bxaA.80.4.index # command:# created fragments for T0097 from T0097-1bxaA.81.0.index # command:# created fragments for T0097 from T0097-1bxaA.81.1.index # command:# created fragments for T0097 from T0097-1bxaA.82.0.index # command:# created fragments for T0097 from T0097-1bxaA.82.1.index # command:# created fragments for T0097 from T0097-1bxaA.83.0.index # command:# created fragments for T0097 from T0097-1bxaA.83.1.index # command:# created fragments for T0097 from T0097-1bxaA.84.0.index # command:# created fragments for T0097 from T0097-1bxaA.84.3.index # command:# created fragments for T0097 from T0097-1bxaA.85.0.index # command:# created fragments for T0097 from T0097-1bxaA.85.4.index # command:# created fragments for T0097 from T0097-1bxaA.86.0.index # command:# created fragments for T0097 from T0097-1bxaA.87.2.index # command:# created fragments for T0097 from T0097-1bxkA.45.5.index # command:# created fragments for T0097 from T0097-1cbs.63.5.index # command:# created fragments for T0097 from T0097-1ceqA.8.4.index # command:# created fragments for T0097 from T0097-1chd.42.3.index # command:# created fragments for T0097 from T0097-1cot.81.4.index # command:# created fragments for T0097 from T0097-1cot.82.2.index # command:# created fragments for T0097 from T0097-1cot.83.4.index # command:# created fragments for T0097 from T0097-1cot.84.5.index # command:# created fragments for T0097 from T0097-1ct5A.94.3.index # command:# created fragments for T0097 from T0097-1ct5A.95.4.index # command:# created fragments for T0097 from T0097-1cunA-local.index # command:# created fragments for T0097 from T0097-1cxyA.57.2.index # command:# created fragments for T0097 from T0097-1cxyA.58.0.index # command:# created fragments for T0097 from T0097-1cxyA.58.3.index # command:# created fragments for T0097 from T0097-1cxyA.59.0.index # command:# created fragments for T0097 from T0097-1cxyA.59.1.index # command:# created fragments for T0097 from T0097-1cxyA.60.0.index # command:# created fragments for T0097 from T0097-1cxyA.60.1.index # command:# created fragments for T0097 from T0097-1cxyA.61.0.index # command:# created fragments for T0097 from T0097-1cxyA.61.1.index # command:# created fragments for T0097 from T0097-1cxyA.62.0.index # command:# created fragments for T0097 from T0097-1cxyA.62.1.index # command:# created fragments for T0097 from T0097-1cxyA.63.2.index # command:# created fragments for T0097 from T0097-1cxyA.64.3.index # command:# created fragments for T0097 from T0097-1d4tA.51.2.index # command:# created fragments for T0097 from T0097-1d4tA.52.1.index # command:# created fragments for T0097 from T0097-1d4tA.53.2.index # command:# created fragments for T0097 from T0097-1d4tA.53.5.index # command:# created fragments for T0097 from T0097-1d4tA.54.1.index # command:# created fragments for T0097 from T0097-1d4tA.54.2.index # command:# created fragments for T0097 from T0097-1d4tA.55.1.index # command:# created fragments for T0097 from T0097-1d4tA.55.2.index # command:# created fragments for T0097 from T0097-1d4tA.56.2.index # command:# created fragments for T0097 from T0097-1d4tA.56.4.index # command:# created fragments for T0097 from T0097-1d4tA.57.5.index # command:# created fragments for T0097 from T0097-1dcs.68.2.index # command:# created fragments for T0097 from T0097-1dcs.69.5.index # command:# created fragments for T0097 from T0097-1dcs.70.2.index # command:# created fragments for T0097 from T0097-1dfmA.12.3.index # command:# created fragments for T0097 from T0097-1dgfA.14.0.index # command:# created fragments for T0097 from T0097-1dgfA.15.0.index # command:# created fragments for T0097 from T0097-1dgfA.15.2.index # command:# created fragments for T0097 from T0097-1dgfA.16.0.index # command:# created fragments for T0097 from T0097-1dgfA.16.1.index # command:# created fragments for T0097 from T0097-1dgfA.17.2.index # command:# created fragments for T0097 from T0097-1dgwY.39.3.index # command:# created fragments for T0097 from T0097-1dgwY.40.3.index # command:# created fragments for T0097 from T0097-1dhn.28.5.index # command:# created fragments for T0097 from T0097-1dhn.29.5.index # command:# created fragments for T0097 from T0097-1dhn.30.5.index # command:# created fragments for T0097 from T0097-1dhn.31.5.index # command:# created fragments for T0097 from T0097-1difA.54.4.index # command:# created fragments for T0097 from T0097-1difA.55.4.index # command:# created fragments for T0097 from T0097-1difA.56.5.index # command:# created fragments for T0097 from T0097-1difA.58.5.index # command:# created fragments for T0097 from T0097-1difA.59.2.index # command:# created fragments for T0097 from T0097-1difA.60.2.index # command:# created fragments for T0097 from T0097-1edqA.18.5.index # command:# created fragments for T0097 from T0097-1efiD.36.1.index # command:# created fragments for T0097 from T0097-1efiD.37.2.index # command:# created fragments for T0097 from T0097-1efiD.37.3.index # command:# created fragments for T0097 from T0097-1efiD.38.0.index # command:# created fragments for T0097 from T0097-1efiD.38.3.index # command:# created fragments for T0097 from T0097-1efiD.39.0.index # command:# created fragments for T0097 from T0097-1efiD.39.4.index # command:# created fragments for T0097 from T0097-1efiD.40.1.index # command:# created fragments for T0097 from T0097-1efiD.40.4.index # command:# created fragments for T0097 from T0097-1efiD.41.1.index # command:# created fragments for T0097 from T0097-1efiD.41.5.index # command:# created fragments for T0097 from T0097-1elrA-local.index # command:# created fragments for T0097 from T0097-1fehA.95.2.index # command:# created fragments for T0097 from T0097-1fehA.95.5.index # command:# created fragments for T0097 from T0097-1fltV.72.3.index # command:# created fragments for T0097 from T0097-1fltV.73.4.index # command:# created fragments for T0097 from T0097-1fltX.41.2.index # command:# created fragments for T0097 from T0097-1fltX.42.1.index # command:# created fragments for T0097 from T0097-1fltX.42.2.index # command:# created fragments for T0097 from T0097-1fltX.42.5.index # command:# created fragments for T0097 from T0097-1fltX.43.0.index # command:# created fragments for T0097 from T0097-1fltX.43.1.index # command:# created fragments for T0097 from T0097-1fltX.43.5.index # command:# created fragments for T0097 from T0097-1fltX.44.1.index # command:# created fragments for T0097 from T0097-1fltX.44.3.index # command:# created fragments for T0097 from T0097-1fltX.44.5.index # command:# created fragments for T0097 from T0097-1fltX.45.3.index # command:# created fragments for T0097 from T0097-1fltX.45.4.index # command:# created fragments for T0097 from T0097-1fltX.46.3.index # command:# created fragments for T0097 from T0097-1fltX.46.4.index # command:# created fragments for T0097 from T0097-1fltX.64.5.index # command:# created fragments for T0097 from T0097-1fltX.65.4.index # command:# created fragments for T0097 from T0097-1fltX.67.4.index # command:# created fragments for T0097 from T0097-1fltX.68.3.index # command:# created fragments for T0097 from T0097-1fna.86.3.index # command:# created fragments for T0097 from T0097-1fna.87.1.index # command:# created fragments for T0097 from T0097-1fna.88.4.index # command:# created fragments for T0097 from T0097-1fvkA.61.2.index # command:# created fragments for T0097 from T0097-1fvkA.61.4.index # command:# created fragments for T0097 from T0097-1fvkA.62.2.index # command:# created fragments for T0097 from T0097-1fvkA.62.4.index # command:# created fragments for T0097 from T0097-1fvkA.62.5.index # command:# created fragments for T0097 from T0097-1fvkA.63.0.index # command:# created fragments for T0097 from T0097-1fvkA.63.1.index # command:# created fragments for T0097 from T0097-1fvkA.64.0.index # command:# created fragments for T0097 from T0097-1fvkA.64.1.index # command:# created fragments for T0097 from T0097-1fvkA.65.0.index # command:# created fragments for T0097 from T0097-1fvkA.65.2.index # command:# created fragments for T0097 from T0097-1fvkA.65.3.index # command:# created fragments for T0097 from T0097-1fvkA.66.1.index # command:# created fragments for T0097 from T0097-1fvkA.66.3.index # command:# created fragments for T0097 from T0097-1fvkA.66.4.index # command:# created fragments for T0097 from T0097-1fvkA.67.5.index # command:# created fragments for T0097 from T0097-1gd1O.67.2.index # command:# created fragments for T0097 from T0097-1gd1O.68.4.index # command:# created fragments for T0097 from T0097-1hcl.16.4.index # command:# created fragments for T0097 from T0097-1iibA.0.1.index # command:# created fragments for T0097 from T0097-1iibA.0.4.index # command:# created fragments for T0097 from T0097-1iibA.1.0.index # command:# created fragments for T0097 from T0097-1iibA.1.1.index # command:# created fragments for T0097 from T0097-1iibA.1.5.index # command:# created fragments for T0097 from T0097-1iibA.2.0.index # command:# created fragments for T0097 from T0097-1iibA.2.1.index # command:# created fragments for T0097 from T0097-1iibA.2.4.index # command:# created fragments for T0097 from T0097-1iibA.3.0.index # command:# created fragments for T0097 from T0097-1iibA.3.1.index # command:# created fragments for T0097 from T0097-1iibA.3.5.index # command:# created fragments for T0097 from T0097-1iibA.4.0.index # command:# created fragments for T0097 from T0097-1iibA.4.1.index # command:# created fragments for T0097 from T0097-1iibA.4.4.index # command:# created fragments for T0097 from T0097-1iibA.5.0.index # command:# created fragments for T0097 from T0097-1iibA.5.1.index # command:# created fragments for T0097 from T0097-1iibA.6.0.index # command:# created fragments for T0097 from T0097-1iibA.6.1.index # command:# created fragments for T0097 from T0097-1iibA.7.0.index # command:# created fragments for T0097 from T0097-1iibA.7.1.index # command:# created fragments for T0097 from T0097-1iibA.8.1.index # command:# created fragments for T0097 from T0097-1iibA.9.3.index # command:# created fragments for T0097 from T0097-1jcv.36.2.index # command:# created fragments for T0097 from T0097-1jcv.37.1.index # command:# created fragments for T0097 from T0097-1jcv.38.1.index # command:# created fragments for T0097 from T0097-1jcv.39.5.index # command:# created fragments for T0097 from T0097-1jhgA.94.2.index # command:# created fragments for T0097 from T0097-1jhgA.95.3.index # command:# created fragments for T0097 from T0097-1lldA.0.2.index # command:# created fragments for T0097 from T0097-1lldA.1.2.index # command:# created fragments for T0097 from T0097-1lldA.2.2.index # command:# created fragments for T0097 from T0097-1memA.71.4.index # command:# created fragments for T0097 from T0097-1memA.75.4.index # command:# created fragments for T0097 from T0097-1mpp.64.4.index # command:# created fragments for T0097 from T0097-1mpp.65.1.index # command:# created fragments for T0097 from T0097-1mpp.66.2.index # command:# created fragments for T0097 from T0097-1mpp.66.5.index # command:# created fragments for T0097 from T0097-1mpp.67.3.index # command:# created fragments for T0097 from T0097-1mtyD.80.5.index # command:# created fragments for T0097 from T0097-1mtyD.81.5.index # command:# created fragments for T0097 from T0097-1mtyD.82.5.index # command:# created fragments for T0097 from T0097-1ncx-local.index # command:# created fragments for T0097 from T0097-1onc.69.4.index # command:# created fragments for T0097 from T0097-1onc.70.4.index # 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command:# created fragments for T0097 from T0097-1tif.43.4.index # command:# created fragments for T0097 from T0097-1tif.47.4.index # command:# created fragments for T0097 from T0097-1tif.48.4.index # command:# created fragments for T0097 from T0097-1tif.49.2.index # command:# created fragments for T0097 from T0097-1tif.50.5.index # command:# created fragments for T0097 from T0097-1tif.51.5.index # command:# created fragments for T0097 from T0097-1tif.52.4.index # command:# created fragments for T0097 from T0097-1tx4A.17.4.index # command:# created fragments for T0097 from T0097-1tx4A.17.5.index # command:# created fragments for T0097 from T0097-1tx4A.18.1.index # command:# created fragments for T0097 from T0097-1tx4A.19.2.index # command:# created fragments for T0097 from T0097-1tx4A.20.4.index # command:# created fragments for T0097 from T0097-1udh.3.4.index # command:# created fragments for T0097 from T0097-1udh.4.2.index # command:# created fragments for T0097 from T0097-1udh.5.2.index # 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command:# created fragments for T0097 from T0097-256bA.36.4.index # command:# created fragments for T0097 from T0097-256bA.37.5.index # command:# created fragments for T0097 from T0097-256bA.38.4.index # command:# created fragments for T0097 from T0097-256bA.38.5.index # command:# created fragments for T0097 from T0097-256bA.39.1.index # command:# created fragments for T0097 from T0097-256bA.39.2.index # command:# created fragments for T0097 from T0097-256bA.40.0.index # command:# created fragments for T0097 from T0097-256bA.40.2.index # command:# created fragments for T0097 from T0097-256bA.41.0.index # command:# created fragments for T0097 from T0097-256bA.41.3.index # command:# created fragments for T0097 from T0097-256bA.42.0.index # command:# created fragments for T0097 from T0097-256bA.43.2.index # command:# created fragments for T0097 from T0097-256bA.44.0.index # command:# created fragments for T0097 from T0097-256bA.45.2.index # command:# created fragments for T0097 from T0097-256bA.46.2.index # command:# created fragments for T0097 from T0097-256bA.47.2.index # command:# created fragments for T0097 from T0097-2ayh.33.5.index # command:# created fragments for T0097 from T0097-2bbkL.24.5.index # command:# created fragments for T0097 from T0097-2bbkL.25.5.index # command:# created fragments for T0097 from T0097-2bbkL.26.5.index # command:# created fragments for T0097 from T0097-2bbkL.27.5.index # command:# created fragments for T0097 from T0097-2bbkL.52.2.index # command:# created fragments for T0097 from T0097-2bbkL.53.0.index # command:# created fragments for T0097 from T0097-2bbkL.54.0.index # command:# created fragments for T0097 from T0097-2bbkL.55.0.index # command:# created fragments for T0097 from T0097-2bbkL.55.3.index # command:# created fragments for T0097 from T0097-2bbkL.55.5.index # command:# created fragments for T0097 from T0097-2bbkL.56.0.index # command:# created fragments for T0097 from T0097-2bbkL.56.1.index # command:# created fragments for T0097 from T0097-2bbkL.57.0.index # command:# created fragments for T0097 from T0097-2bbkL.57.1.index # command:# created fragments for T0097 from T0097-2bbkL.58.1.index # command:# created fragments for T0097 from T0097-2bbkL.58.2.index # command:# created fragments for T0097 from T0097-2bbkL.59.4.index # command:# created fragments for T0097 from T0097-2bbkL.59.5.index # command:# created fragments for T0097 from T0097-2cy3.87.5.index # command:# created fragments for T0097 from T0097-2cy3.88.1.index # command:# created fragments for T0097 from T0097-2cy3.89.3.index # command:# created fragments for T0097 from T0097-2cy3.89.4.index # command:# created fragments for T0097 from T0097-2cy3.90.4.index # command:# created fragments for T0097 from T0097-2cy3.90.5.index # command:# created fragments for T0097 from T0097-2cy3.91.4.index # command:# created fragments for T0097 from T0097-2cy3.91.5.index # command:# created fragments for T0097 from T0097-2cy3.92.4.index # command:# created fragments for T0097 from T0097-2cy3.92.5.index # command:# created fragments for T0097 from T0097-2cy3.93.4.index # command:# created fragments for T0097 from T0097-2cy3.93.5.index # command:# created fragments for T0097 from T0097-2cy3.94.4.index # command:# created fragments for T0097 from T0097-2dnjA.60.3.index # command:# created fragments for T0097 from T0097-2fdn.22.5.index # command:# created fragments for T0097 from T0097-2kinA.60.4.index # command:# created fragments for T0097 from T0097-2nlrA.19.3.index # command:# created fragments for T0097 from T0097-2nlrA.20.2.index # command:# created fragments for T0097 from T0097-2nlrA.21.2.index # command:# created fragments for T0097 from T0097-2nlrA.21.5.index # command:# created fragments for T0097 from T0097-2nlrA.22.2.index # command:# created fragments for T0097 from T0097-2nlrA.22.4.index # command:# created fragments for T0097 from T0097-2nlrA.23.2.index # command:# created fragments for T0097 from T0097-2nlrA.23.4.index # command:# created fragments for T0097 from T0097-2nlrA.23.5.index # command:# created fragments for T0097 from T0097-2nlrA.24.2.index # command:# created fragments for T0097 from T0097-2nlrA.24.4.index # command:# created fragments for T0097 from T0097-2nlrA.25.2.index # command:# created fragments for T0097 from T0097-2nlrA.25.3.index # command:# created fragments for T0097 from T0097-2nlrA.25.4.index # command:# created fragments for T0097 from T0097-2nlrA.26.2.index # command:# created fragments for T0097 from T0097-2nlrA.26.3.index # command:# created fragments for T0097 from T0097-2nlrA.26.4.index # command:# created fragments for T0097 from T0097-2nlrA.27.2.index # command:# created fragments for T0097 from T0097-2nlrA.27.3.index # command:# created fragments for T0097 from T0097-2nlrA.27.4.index # command:# created fragments for T0097 from T0097-2nlrA.28.2.index # command:# created fragments for T0097 from T0097-2nlrA.28.3.index # command:# created fragments for T0097 from T0097-2nlrA.29.2.index # command:# created fragments for T0097 from T0097-2nlrA.29.4.index # command:# created fragments for T0097 from T0097-2nlrA.30.2.index # command:# created fragments for T0097 from T0097-2nlrA.31.4.index # command:# created fragments for T0097 from T0097-2nlrA.32.3.index # command:# created fragments for T0097 from T0097-2nlrA.33.4.index # command:# created fragments for T0097 from T0097-2nlrA.34.5.index # command:# created fragments for T0097 from T0097-2pgd.2.5.index # command:# created fragments for T0097 from T0097-2pii.34.3.index # command:# created fragments for T0097 from T0097-2pii.35.2.index # command:# created fragments for T0097 from T0097-2rspA.3.2.index # command:# created fragments for T0097 from T0097-2sicI.79.4.index # command:# created fragments for T0097 from T0097-2sicI.80.2.index # command:# created fragments for T0097 from T0097-2sicI.81.3.index # command:# created fragments for T0097 from T0097-2sicI.82.3.index # command:# created fragments for T0097 from T0097-2sicI.83.3.index # command:# created fragments for T0097 from T0097-2sicI.84.1.index # command:# created fragments for T0097 from T0097-2sicI.85.3.index # command:# created fragments for T0097 from T0097-2sicI.86.2.index # command:# created fragments for T0097 from T0097-2sn3.36.5.index # command:# created fragments for T0097 from T0097-2sn3.37.4.index # command:# created fragments for T0097 from T0097-2sn3.48.1.index # command:# created fragments for T0097 from T0097-2sn3.49.1.index # command:# created fragments for T0097 from T0097-2sn3.49.5.index # command:# created fragments for T0097 from T0097-2sn3.50.1.index # command:# created fragments for T0097 from T0097-2sn3.50.3.index # command:# created fragments for T0097 from T0097-2sn3.51.3.index # command:# created fragments for T0097 from T0097-2sn3.51.4.index # command:# created fragments for T0097 from T0097-2spcA-local.index # command:# created fragments for T0097 from T0097-3lzt.13.3.index # command:# created fragments for T0097 from T0097-3lzt.14.3.index # command:# created fragments for T0097 from T0097-3lzt.15.3.index # command:# created fragments for T0097 from T0097-3lzt.16.2.index # command:# created fragments for T0097 from T0097-3lzt.17.0.index # command:# created fragments for T0097 from T0097-3lzt.17.3.index # command:# created fragments for T0097 from T0097-3lzt.18.0.index # command:# created fragments for T0097 from T0097-3lzt.18.2.index # command:# created fragments for T0097 from T0097-3lzt.18.3.index # command:# created fragments for T0097 from T0097-3lzt.19.0.index # command:# created fragments for T0097 from T0097-3lzt.19.1.index # command:# created fragments for T0097 from T0097-3lzt.20.0.index # command:# created fragments for T0097 from T0097-3lzt.20.1.index # command:# created fragments for T0097 from T0097-3lzt.21.0.index # command:# created fragments for T0097 from T0097-3lzt.21.1.index # command:# created fragments for T0097 from T0097-3lzt.22.0.index # command:# created fragments for T0097 from T0097-3lzt.22.1.index # command:# created fragments for T0097 from T0097-3lzt.23.0.index # command:# created fragments for T0097 from T0097-3lzt.23.1.index # command:# created fragments for T0097 from T0097-3lzt.24.0.index # command:# created fragments for T0097 from T0097-3lzt.24.1.index # command:# created fragments for T0097 from T0097-3lzt.25.0.index # command:# created fragments for T0097 from T0097-3lzt.25.1.index # command:# created fragments for T0097 from T0097-3lzt.26.0.index # command:# created fragments for T0097 from T0097-3lzt.26.1.index # command:# created fragments for T0097 from T0097-3lzt.27.0.index # command:# created fragments for T0097 from T0097-3lzt.27.1.index # command:# created fragments for T0097 from T0097-3lzt.28.0.index # command:# created fragments for T0097 from T0097-3lzt.28.1.index # command:# created fragments for T0097 from T0097-3lzt.28.4.index # command:# created fragments for T0097 from T0097-3lzt.29.0.index # command:# created fragments for T0097 from T0097-3lzt.29.1.index # command:# created fragments for T0097 from T0097-3lzt.29.3.index # command:# created fragments for T0097 from T0097-3lzt.30.0.index # command:# created fragments for T0097 from T0097-3lzt.30.1.index # command:# created fragments for T0097 from T0097-3lzt.30.4.index # command:# created fragments for T0097 from T0097-3lzt.31.0.index # command:# created fragments for T0097 from T0097-3lzt.31.1.index # command:# created fragments for T0097 from T0097-3lzt.32.0.index # command:# created fragments for T0097 from T0097-3lzt.32.1.index # command:# created fragments for T0097 from T0097-3lzt.32.5.index # command:# created fragments for T0097 from T0097-3lzt.33.0.index # command:# created fragments for T0097 from T0097-3lzt.33.1.index # command:# created fragments for T0097 from T0097-3lzt.34.0.index # command:# created fragments for T0097 from T0097-3lzt.34.1.index # command:# created fragments for T0097 from T0097-3lzt.35.0.index # command:# created fragments for T0097 from T0097-3lzt.35.1.index # command:# created fragments for T0097 from T0097-3lzt.36.0.index # command:# created fragments for T0097 from T0097-3lzt.36.3.index # command:# created fragments for T0097 from T0097-3lzt.37.0.index # command:# created fragments for T0097 from T0097-3lzt.38.2.index # command:# created fragments for T0097 from T0097-3tss.83.5.index # command:# created fragments for T0097 from T0097-4mt2.10.0.index # command:# created fragments for T0097 from T0097-4mt2.10.5.index # command:# created fragments for T0097 from T0097-4mt2.11.2.index # command:# created fragments for T0097 from T0097-4mt2.11.5.index # command:# created fragments for T0097 from T0097-4mt2.12.2.index # command:# created fragments for T0097 from T0097-4mt2.12.4.index # command:# created fragments for T0097 from T0097-4mt2.13.4.index # command:# created fragments for T0097 from T0097-4mt2.13.5.index # command:# created fragments for T0097 from T0097-4mt2.8.3.index # command:# created fragments for T0097 from T0097-4mt2.9.1.index # command:# created fragments for T0097 from T0097-4ubpA.61.5.index # command:# created fragments for T0097 from T0097-7a3hA.63.3.index # command:# created fragments for T0097 from T0097-7a3hA.64.2.index # command:# naming current conformation t97-init-opt # command:# command:# Will do 30 iterations of optimization # best score in initial pool at pool[48] 344.545 bits/residue, 29 clashes 24.1372 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 322.507 bits/residue, 47 clashes # Cumulative usage by method: ## InsertFragment 12 ## ReduceClash 6 ## CrossOver 0 ## CrossAndInsert 9 ## TwoFragment 8 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 3 ## InsertAlignment 6 ## ReduceBreak 22 # generation 2: best score 305.317 bits/residue, 5 clashes # Cumulative usage by method: ## InsertFragment 26 ## ReduceClash 13 ## CrossOver 1 ## CrossAndInsert 19 ## TwoFragment 18 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 12 ## ReduceBreak 32 # generation 3: best score 304.181 bits/residue, 14 clashes # Cumulative usage by method: ## InsertFragment 41 ## ReduceClash 23 ## CrossOver 1 ## CrossAndInsert 34 ## TwoFragment 22 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 24 ## InsertAlignment 18 ## ReduceBreak 33 # generation 4: best score 300.116 bits/residue, 5 clashes # Cumulative usage by method: ## InsertFragment 51 ## ReduceClash 28 ## CrossOver 2 ## CrossAndInsert 46 ## TwoFragment 24 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 51 ## InsertAlignment 22 ## ReduceBreak 33 # generation 5: best score 297.095 bits/residue, 6 clashes # Cumulative usage by method: ## InsertFragment 57 ## ReduceClash 32 ## CrossOver 2 ## CrossAndInsert 56 ## TwoFragment 29 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 78 ## InsertAlignment 29 ## ReduceBreak 33 # generation 6: best score 290.264 bits/residue, 7 clashes # Cumulative usage by method: ## InsertFragment 65 ## ReduceClash 36 ## CrossOver 4 ## CrossAndInsert 61 ## TwoFragment 33 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 107 ## InsertAlignment 33 ## ReduceBreak 33 # best score in initial pool at pool[27] 335.975 bits/residue, 26 clashes 14.9118 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 323.017 bits/residue, 10 clashes 13.584 breaks # Cumulative usage by method: ## InsertFragment 7 ## ReduceClash 13 ## CrossOver 0 ## CrossAndInsert 15 ## TwoFragment 14 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 9 ## ReduceBreak 4 # generation 2: best score 317.034 bits/residue, 10 clashes 13.584 breaks # Cumulative usage by method: ## InsertFragment 14 ## ReduceClash 24 ## CrossOver 0 ## CrossAndInsert 30 ## TwoFragment 25 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 21 ## ReduceBreak 5 # generation 3: best score 310.165 bits/residue, 32 clashes 13.584 breaks # Cumulative usage by method: ## InsertFragment 35 ## ReduceClash 26 ## CrossOver 0 ## CrossAndInsert 43 ## TwoFragment 37 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 9 ## InsertAlignment 29 ## ReduceBreak 6 # generation 4: best score 307.538 bits/residue, 32 clashes 13.584 breaks # Cumulative usage by method: ## InsertFragment 51 ## ReduceClash 34 ## CrossOver 0 ## CrossAndInsert 59 ## TwoFragment 44 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 37 ## ReduceBreak 6 # generation 5: best score 301.276 bits/residue, 26 clashes 13.584 breaks # Cumulative usage by method: ## InsertFragment 66 ## ReduceClash 44 ## CrossOver 0 ## CrossAndInsert 73 ## TwoFragment 51 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 39 ## ReduceBreak 6 # generation 6: best score 297.65 bits/residue, 24 clashes 13.584 breaks # Cumulative usage by method: ## InsertFragment 82 ## ReduceClash 53 ## CrossOver 0 ## CrossAndInsert 91 ## TwoFragment 53 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 45 ## ReduceBreak 6 # best score in initial pool at pool[65] 332.095 bits/residue, 50 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 322.649 bits/residue, 49 clashes # Cumulative usage by method: ## InsertFragment 10 ## ReduceClash 10 ## CrossOver 1 ## CrossAndInsert 19 ## TwoFragment 12 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 5 ## InsertAlignment 7 ## ReduceBreak 0 # generation 2: best score 316.202 bits/residue, 45 clashes # Cumulative usage by method: ## InsertFragment 21 ## ReduceClash 16 ## CrossOver 1 ## CrossAndInsert 45 ## TwoFragment 17 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 12 ## InsertAlignment 14 ## ReduceBreak 0 # generation 3: best score 308.285 bits/residue, 38 clashes # Cumulative usage by method: ## InsertFragment 36 ## ReduceClash 23 ## CrossOver 2 ## CrossAndInsert 62 ## TwoFragment 25 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 20 ## InsertAlignment 16 ## ReduceBreak 0 # generation 4: best score 305.423 bits/residue, 27 clashes # Cumulative usage by method: ## InsertFragment 53 ## ReduceClash 29 ## CrossOver 4 ## CrossAndInsert 69 ## TwoFragment 30 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 38 ## InsertAlignment 20 ## ReduceBreak 0 # generation 5: best score 300.407 bits/residue, 16 clashes # Cumulative usage by method: ## InsertFragment 71 ## ReduceClash 31 ## CrossOver 4 ## CrossAndInsert 79 ## TwoFragment 31 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 56 ## InsertAlignment 24 ## ReduceBreak 0 # generation 6: best score 298.48 bits/residue, 12 clashes # Cumulative usage by method: ## InsertFragment 83 ## ReduceClash 34 ## CrossOver 4 ## CrossAndInsert 85 ## TwoFragment 32 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 80 ## InsertAlignment 24 ## ReduceBreak 0 # best score in initial pool at pool[24] 346.434 bits/residue, 72 clashes 27.8659 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 330.435 bits/residue, 45 clashes # Cumulative usage by method: ## InsertFragment 6 ## ReduceClash 15 ## CrossOver 0 ## CrossAndInsert 11 ## TwoFragment 10 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 11 ## ReduceBreak 7 # generation 2: best score 311.765 bits/residue, 20 clashes 8.81614 breaks # Cumulative usage by method: ## InsertFragment 17 ## ReduceClash 34 ## CrossOver 3 ## CrossAndInsert 16 ## TwoFragment 21 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 5 ## InsertAlignment 22 ## ReduceBreak 8 # generation 3: best score 305.994 bits/residue, 26 clashes 8.81614 breaks # Cumulative usage by method: ## InsertFragment 26 ## ReduceClash 55 ## CrossOver 4 ## CrossAndInsert 21 ## TwoFragment 34 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 12 ## InsertAlignment 30 ## ReduceBreak 8 # generation 4: best score 299.634 bits/residue, 19 clashes 13.8988 breaks # Cumulative usage by method: ## InsertFragment 38 ## ReduceClash 72 ## CrossOver 4 ## CrossAndInsert 32 ## TwoFragment 40 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 19 ## InsertAlignment 35 ## ReduceBreak 8 # generation 5: best score 294.903 bits/residue, 33 clashes 9.29555 breaks # Cumulative usage by method: ## InsertFragment 54 ## ReduceClash 89 ## CrossOver 4 ## CrossAndInsert 39 ## TwoFragment 49 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 22 ## InsertAlignment 39 ## ReduceBreak 9 # generation 6: best score 293.146 bits/residue, 33 clashes 9.29555 breaks # Cumulative usage by method: ## InsertFragment 69 ## ReduceClash 107 ## CrossOver 6 ## CrossAndInsert 47 ## TwoFragment 49 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 26 ## InsertAlignment 41 ## ReduceBreak 10 # best score in initial pool at pool[44] 340.768 bits/residue, 91 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 329.211 bits/residue, 39 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 11 ## ReduceClash 8 ## CrossOver 0 ## CrossAndInsert 7 ## TwoFragment 17 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 15 ## ReduceBreak 0 # generation 2: best score 321.143 bits/residue, 41 clashes # Cumulative usage by method: ## InsertFragment 22 ## ReduceClash 17 ## CrossOver 0 ## CrossAndInsert 17 ## TwoFragment 30 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 30 ## ReduceBreak 0 # generation 3: best score 315.596 bits/residue, 23 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 36 ## ReduceClash 27 ## CrossOver 1 ## CrossAndInsert 27 ## TwoFragment 34 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 41 ## ReduceBreak 0 # generation 4: best score 308.408 bits/residue, 9 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 47 ## ReduceClash 35 ## CrossOver 2 ## CrossAndInsert 37 ## TwoFragment 41 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 20 ## InsertAlignment 51 ## ReduceBreak 0 # generation 5: best score 307.329 bits/residue, 23 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 60 ## ReduceClash 42 ## CrossOver 3 ## CrossAndInsert 44 ## TwoFragment 45 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 28 ## InsertAlignment 57 ## ReduceBreak 0 # generation 6: best score 304.819 bits/residue, 12 clashes # Cumulative usage by method: ## InsertFragment 79 ## ReduceClash 49 ## CrossOver 7 ## CrossAndInsert 49 ## TwoFragment 45 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 41 ## InsertAlignment 61 ## ReduceBreak 0 # best score in initial pool at pool[25] 336.959 bits/residue, 59 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 323.209 bits/residue, 41 clashes # Cumulative usage by method: ## InsertFragment 11 ## ReduceClash 15 ## CrossOver 0 ## CrossAndInsert 16 ## TwoFragment 14 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 2 ## InsertAlignment 7 ## ReduceBreak 0 # generation 2: best score 312.787 bits/residue, 46 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 21 ## ReduceClash 37 ## CrossOver 0 ## CrossAndInsert 34 ## TwoFragment 21 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 2 ## InsertAlignment 12 ## ReduceBreak 0 # generation 3: best score 309.062 bits/residue, 35 clashes # Cumulative usage by method: ## InsertFragment 33 ## ReduceClash 54 ## CrossOver 1 ## CrossAndInsert 50 ## TwoFragment 33 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 14 ## ReduceBreak 0 # generation 4: best score 303.836 bits/residue, 28 clashes # Cumulative usage by method: ## InsertFragment 48 ## ReduceClash 66 ## CrossOver 1 ## CrossAndInsert 66 ## TwoFragment 37 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 16 ## ReduceBreak 0 # generation 5: best score 300.506 bits/residue, 34 clashes # Cumulative usage by method: ## InsertFragment 66 ## ReduceClash 81 ## CrossOver 1 ## CrossAndInsert 79 ## TwoFragment 43 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 17 ## ReduceBreak 0 # generation 6: best score 295.264 bits/residue, 22 clashes # Cumulative usage by method: ## InsertFragment 80 ## ReduceClash 94 ## CrossOver 1 ## CrossAndInsert 92 ## TwoFragment 51 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 18 ## ReduceBreak 0 # best score in initial pool at pool[6] 347.782 bits/residue, 64 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 336.035 bits/residue, 44 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 9 ## ReduceClash 10 ## CrossOver 1 ## CrossAndInsert 13 ## TwoFragment 18 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 11 ## ReduceBreak 1 # generation 2: best score 323.601 bits/residue, 12 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 23 ## ReduceClash 23 ## CrossOver 3 ## CrossAndInsert 23 ## TwoFragment 31 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 8 ## InsertAlignment 20 ## ReduceBreak 1 # generation 3: best score 319.914 bits/residue, 53 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 37 ## ReduceClash 27 ## CrossOver 4 ## CrossAndInsert 39 ## TwoFragment 39 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 12 ## InsertAlignment 33 ## ReduceBreak 1 # generation 4: best score 314.7 bits/residue, 71 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 51 ## ReduceClash 37 ## CrossOver 5 ## CrossAndInsert 49 ## TwoFragment 46 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 17 ## InsertAlignment 36 ## ReduceBreak 1 # generation 5: best score 311.403 bits/residue, 68 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 69 ## ReduceClash 41 ## CrossOver 7 ## CrossAndInsert 62 ## TwoFragment 52 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 21 ## InsertAlignment 37 ## ReduceBreak 1 # generation 6: best score 304.784 bits/residue, 46 clashes # Cumulative usage by method: ## InsertFragment 86 ## ReduceClash 46 ## CrossOver 9 ## CrossAndInsert 77 ## TwoFragment 53 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 25 ## InsertAlignment 38 ## ReduceBreak 1 # best score in initial pool at pool[44] 334.421 bits/residue, 53 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 308.201 bits/residue, 7 clashes 13.6754 breaks # Cumulative usage by method: ## InsertFragment 7 ## ReduceClash 15 ## CrossOver 0 ## CrossAndInsert 7 ## TwoFragment 23 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 3 ## InsertAlignment 11 ## ReduceBreak 0 # generation 2: best score 301.101 bits/residue, 7 clashes 13.6754 breaks # Cumulative usage by method: ## InsertFragment 19 ## ReduceClash 20 ## CrossOver 0 ## CrossAndInsert 16 ## TwoFragment 44 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 8 ## InsertAlignment 19 ## ReduceBreak 0 # generation 3: best score 299.824 bits/residue, 12 clashes 14.1012 breaks # Cumulative usage by method: ## InsertFragment 31 ## ReduceClash 30 ## CrossOver 0 ## CrossAndInsert 24 ## TwoFragment 57 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 11 ## InsertAlignment 29 ## ReduceBreak 1 # generation 4: best score 295.658 bits/residue, 34 clashes # Cumulative usage by method: ## InsertFragment 46 ## ReduceClash 40 ## CrossOver 0 ## CrossAndInsert 35 ## TwoFragment 64 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 32 ## ReduceBreak 1 # generation 5: best score 290.759 bits/residue, 31 clashes # Cumulative usage by method: ## InsertFragment 60 ## ReduceClash 49 ## CrossOver 1 ## CrossAndInsert 45 ## TwoFragment 72 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 34 ## ReduceBreak 1 # generation 6: best score 288.369 bits/residue, 28 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 75 ## ReduceClash 59 ## CrossOver 2 ## CrossAndInsert 53 ## TwoFragment 76 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 15 ## InsertAlignment 36 ## ReduceBreak 1 # best score in initial pool at pool[54] 326.102 bits/residue, 20 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 323.217 bits/residue, 35 clashes # Cumulative usage by method: ## InsertFragment 3 ## ReduceClash 15 ## CrossOver 0 ## CrossAndInsert 14 ## TwoFragment 20 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 3 ## InsertAlignment 11 ## ReduceBreak 0 # generation 2: best score 318.505 bits/residue, 38 clashes # Cumulative usage by method: ## InsertFragment 10 ## ReduceClash 35 ## CrossOver 0 ## CrossAndInsert 27 ## TwoFragment 29 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 9 ## InsertAlignment 16 ## ReduceBreak 0 # generation 3: best score 310.029 bits/residue, 35 clashes # Cumulative usage by method: ## InsertFragment 15 ## ReduceClash 56 ## CrossOver 0 ## CrossAndInsert 40 ## TwoFragment 35 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 18 ## InsertAlignment 17 ## ReduceBreak 0 # generation 4: best score 307.196 bits/residue, 53 clashes # Cumulative usage by method: ## InsertFragment 19 ## ReduceClash 74 ## CrossOver 3 ## CrossAndInsert 48 ## TwoFragment 41 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 28 ## InsertAlignment 19 ## ReduceBreak 0 # generation 5: best score 304.15 bits/residue, 17 clashes # Cumulative usage by method: ## InsertFragment 30 ## ReduceClash 79 ## CrossOver 7 ## CrossAndInsert 62 ## TwoFragment 47 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 35 ## InsertAlignment 19 ## ReduceBreak 0 # generation 6: best score 302.831 bits/residue, 34 clashes # Cumulative usage by method: ## InsertFragment 38 ## ReduceClash 90 ## CrossOver 11 ## CrossAndInsert 74 ## TwoFragment 50 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 41 ## InsertAlignment 19 ## ReduceBreak 0 # best score in initial pool at pool[8] 338.296 bits/residue, 21 clashes 21.7287 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 330.313 bits/residue, 23 clashes 16.2128 breaks # Cumulative usage by method: ## InsertFragment 14 ## ReduceClash 17 ## CrossOver 0 ## CrossAndInsert 11 ## TwoFragment 12 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 1 ## InsertAlignment 10 ## ReduceBreak 2 # generation 2: best score 312.416 bits/residue, 14 clashes 21.3736 breaks # Cumulative usage by method: ## InsertFragment 25 ## ReduceClash 44 ## CrossOver 0 ## CrossAndInsert 15 ## TwoFragment 23 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 2 ## InsertAlignment 19 ## ReduceBreak 2 # generation 3: best score 304.767 bits/residue, 14 clashes 15.8577 breaks # Cumulative usage by method: ## InsertFragment 41 ## ReduceClash 59 ## CrossOver 0 ## CrossAndInsert 22 ## TwoFragment 32 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 29 ## ReduceBreak 2 # generation 4: best score 302.451 bits/residue, 19 clashes 15.8577 breaks # Cumulative usage by method: ## InsertFragment 56 ## ReduceClash 77 ## CrossOver 0 ## CrossAndInsert 25 ## TwoFragment 41 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 38 ## ReduceBreak 2 # generation 5: best score 297.797 bits/residue, 16 clashes 9.92088 breaks # Cumulative usage by method: ## InsertFragment 73 ## ReduceClash 94 ## CrossOver 0 ## CrossAndInsert 33 ## TwoFragment 46 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 41 ## ReduceBreak 2 # generation 6: best score 296.174 bits/residue, 33 clashes 11.08 breaks # Cumulative usage by method: ## InsertFragment 88 ## ReduceClash 111 ## CrossOver 0 ## CrossAndInsert 40 ## TwoFragment 50 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 44 ## ReduceBreak 3 # best score in initial pool at pool[45] 334.896 bits/residue, 76 clashes 9.69247 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 318.857 bits/residue, 103 clashes # Cumulative usage by method: ## InsertFragment 10 ## ReduceClash 13 ## CrossOver 0 ## CrossAndInsert 9 ## TwoFragment 23 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 3 ## ReduceBreak 1 # generation 2: best score 317.079 bits/residue, 53 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 28 ## ReduceClash 25 ## CrossOver 1 ## CrossAndInsert 19 ## TwoFragment 35 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 11 ## ReduceBreak 1 # generation 3: best score 314.244 bits/residue, 45 clashes # Cumulative usage by method: ## InsertFragment 44 ## ReduceClash 35 ## CrossOver 1 ## CrossAndInsert 28 ## TwoFragment 47 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 12 ## InsertAlignment 16 ## ReduceBreak 1 # generation 4: best score 303.234 bits/residue, 28 clashes # Cumulative usage by method: ## InsertFragment 62 ## ReduceClash 45 ## CrossOver 1 ## CrossAndInsert 35 ## TwoFragment 56 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 17 ## InsertAlignment 23 ## ReduceBreak 1 # generation 5: best score 300.601 bits/residue, 23 clashes # Cumulative usage by method: ## InsertFragment 79 ## ReduceClash 53 ## CrossOver 1 ## CrossAndInsert 46 ## TwoFragment 65 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 21 ## InsertAlignment 25 ## ReduceBreak 1 # generation 6: best score 298.679 bits/residue, 30 clashes # Cumulative usage by method: ## InsertFragment 95 ## ReduceClash 63 ## CrossOver 2 ## CrossAndInsert 52 ## TwoFragment 70 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 27 ## InsertAlignment 26 ## ReduceBreak 1 # best score in initial pool at pool[22] 343.493 bits/residue, 103 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 334.25 bits/residue, 47 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 8 ## ReduceClash 5 ## CrossOver 0 ## CrossAndInsert 20 ## TwoFragment 15 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 3 ## InsertAlignment 13 ## ReduceBreak 2 # generation 2: best score 311.01 bits/residue, 33 clashes 19.4101 breaks # Cumulative usage by method: ## InsertFragment 14 ## ReduceClash 14 ## CrossOver 1 ## CrossAndInsert 43 ## TwoFragment 29 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 19 ## ReduceBreak 3 # generation 3: best score 306.798 bits/residue, 35 clashes 16.5072 breaks # Cumulative usage by method: ## InsertFragment 23 ## ReduceClash 19 ## CrossOver 1 ## CrossAndInsert 63 ## TwoFragment 40 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 26 ## ReduceBreak 5 # generation 4: best score 306.507 bits/residue, 45 clashes 19.4101 breaks # Cumulative usage by method: ## InsertFragment 39 ## ReduceClash 23 ## CrossOver 1 ## CrossAndInsert 87 ## TwoFragment 47 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 8 ## InsertAlignment 28 ## ReduceBreak 5 # generation 5: best score 303.307 bits/residue, 27 clashes 15.4798 breaks # Cumulative usage by method: ## InsertFragment 52 ## ReduceClash 28 ## CrossOver 2 ## CrossAndInsert 103 ## TwoFragment 57 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 9 ## InsertAlignment 30 ## ReduceBreak 6 # generation 6: best score 300.76 bits/residue, 34 clashes 16.5072 breaks # Cumulative usage by method: ## InsertFragment 64 ## ReduceClash 33 ## CrossOver 3 ## CrossAndInsert 123 ## TwoFragment 64 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 31 ## ReduceBreak 6 # best score in initial pool at pool[14] 328.637 bits/residue, 8 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 315.566 bits/residue, 9 clashes 11.9136 breaks # Cumulative usage by method: ## InsertFragment 14 ## ReduceClash 10 ## CrossOver 0 ## CrossAndInsert 10 ## TwoFragment 22 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 2 ## InsertAlignment 5 ## ReduceBreak 2 # generation 2: best score 310.219 bits/residue, 37 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 25 ## ReduceClash 21 ## CrossOver 1 ## CrossAndInsert 27 ## TwoFragment 36 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 11 ## ReduceBreak 2 # generation 3: best score 305.633 bits/residue, 22 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 41 ## ReduceClash 27 ## CrossOver 1 ## CrossAndInsert 46 ## TwoFragment 45 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 15 ## ReduceBreak 2 # generation 4: best score 301.82 bits/residue, 10 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 56 ## ReduceClash 36 ## CrossOver 1 ## CrossAndInsert 51 ## TwoFragment 61 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 20 ## InsertAlignment 18 ## ReduceBreak 3 # generation 5: best score 298.672 bits/residue, 33 clashes # Cumulative usage by method: ## InsertFragment 69 ## ReduceClash 43 ## CrossOver 1 ## CrossAndInsert 60 ## TwoFragment 68 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 36 ## InsertAlignment 19 ## ReduceBreak 3 # generation 6: best score 290.459 bits/residue, 13 clashes # Cumulative usage by method: ## InsertFragment 79 ## ReduceClash 46 ## CrossOver 1 ## CrossAndInsert 72 ## TwoFragment 73 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 60 ## InsertAlignment 20 ## ReduceBreak 3 # best score in initial pool at pool[3] 354.283 bits/residue, 81 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 327.388 bits/residue, 93 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 8 ## ReduceClash 9 ## CrossOver 0 ## CrossAndInsert 15 ## TwoFragment 14 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 12 ## ReduceBreak 0 # generation 2: best score 327.388 bits/residue, 93 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 20 ## ReduceClash 17 ## CrossOver 0 ## CrossAndInsert 31 ## TwoFragment 23 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 16 ## InsertAlignment 25 ## ReduceBreak 0 # generation 3: best score 322.24 bits/residue, 46 clashes # Cumulative usage by method: ## InsertFragment 33 ## ReduceClash 24 ## CrossOver 0 ## CrossAndInsert 45 ## TwoFragment 29 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 26 ## InsertAlignment 35 ## ReduceBreak 0 # generation 4: best score 315.905 bits/residue, 47 clashes # Cumulative usage by method: ## InsertFragment 44 ## ReduceClash 30 ## CrossOver 0 ## CrossAndInsert 63 ## TwoFragment 34 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 32 ## InsertAlignment 40 ## ReduceBreak 0 # generation 5: best score 309.661 bits/residue, 33 clashes # Cumulative usage by method: ## InsertFragment 55 ## ReduceClash 40 ## CrossOver 0 ## CrossAndInsert 76 ## TwoFragment 40 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 41 ## InsertAlignment 49 ## ReduceBreak 0 # generation 6: best score 301.608 bits/residue, 35 clashes # Cumulative usage by method: ## InsertFragment 74 ## ReduceClash 43 ## CrossOver 0 ## CrossAndInsert 93 ## TwoFragment 43 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 50 ## InsertAlignment 57 ## ReduceBreak 0 # best score in initial pool at pool[48] 351.97 bits/residue, 65 clashes 6.90081 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 334.909 bits/residue, 3 clashes 27.8651 breaks # Cumulative usage by method: ## InsertFragment 11 ## ReduceClash 10 ## CrossOver 0 ## CrossAndInsert 11 ## TwoFragment 17 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 9 ## ReduceBreak 1 # generation 2: best score 309.738 bits/residue, 6 clashes 15.7674 breaks # Cumulative usage by method: ## InsertFragment 23 ## ReduceClash 20 ## CrossOver 0 ## CrossAndInsert 24 ## TwoFragment 34 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 18 ## ReduceBreak 2 # generation 3: best score 300.096 bits/residue, 10 clashes 10.2515 breaks # Cumulative usage by method: ## InsertFragment 37 ## ReduceClash 33 ## CrossOver 0 ## CrossAndInsert 42 ## TwoFragment 41 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 14 ## InsertAlignment 26 ## ReduceBreak 2 # generation 4: best score 300.096 bits/residue, 10 clashes 10.2515 breaks # Cumulative usage by method: ## InsertFragment 56 ## ReduceClash 42 ## CrossOver 0 ## CrossAndInsert 48 ## TwoFragment 51 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 18 ## InsertAlignment 36 ## ReduceBreak 3 # generation 5: best score 300.096 bits/residue, 10 clashes 10.2515 breaks # Cumulative usage by method: ## InsertFragment 71 ## ReduceClash 50 ## CrossOver 0 ## CrossAndInsert 53 ## TwoFragment 59 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 28 ## InsertAlignment 41 ## ReduceBreak 3 # generation 6: best score 300.077 bits/residue, 7 clashes 10.2515 breaks # Cumulative usage by method: ## InsertFragment 90 ## ReduceClash 56 ## CrossOver 1 ## CrossAndInsert 62 ## TwoFragment 63 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 35 ## InsertAlignment 43 ## ReduceBreak 3 # best score in initial pool at pool[60] 351.902 bits/residue, 115 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 342.223 bits/residue, 74 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 11 ## ReduceClash 12 ## CrossOver 0 ## CrossAndInsert 9 ## TwoFragment 17 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 5 ## InsertAlignment 10 ## ReduceBreak 0 # generation 2: best score 330.335 bits/residue, 56 clashes 9.90499 breaks # Cumulative usage by method: ## InsertFragment 25 ## ReduceClash 25 ## CrossOver 0 ## CrossAndInsert 17 ## TwoFragment 31 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 11 ## InsertAlignment 18 ## ReduceBreak 1 # generation 3: best score 313.821 bits/residue, 28 clashes 17.7736 breaks # Cumulative usage by method: ## InsertFragment 41 ## ReduceClash 39 ## CrossOver 0 ## CrossAndInsert 30 ## TwoFragment 37 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 15 ## InsertAlignment 26 ## ReduceBreak 2 # generation 4: best score 313.621 bits/residue, 28 clashes 17.7736 breaks # Cumulative usage by method: ## InsertFragment 59 ## ReduceClash 57 ## CrossOver 0 ## CrossAndInsert 34 ## TwoFragment 43 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 22 ## InsertAlignment 34 ## ReduceBreak 3 # generation 5: best score 300.227 bits/residue, 34 clashes 6.9008 breaks # Cumulative usage by method: ## InsertFragment 76 ## ReduceClash 72 ## CrossOver 0 ## CrossAndInsert 50 ## TwoFragment 51 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 23 ## InsertAlignment 39 ## ReduceBreak 3 # generation 6: best score 297.669 bits/residue, 30 clashes 6.90081 breaks # Cumulative usage by method: ## InsertFragment 92 ## ReduceClash 90 ## CrossOver 0 ## CrossAndInsert 63 ## TwoFragment 54 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 29 ## InsertAlignment 43 ## ReduceBreak 3 # best score in initial pool at pool[11] 342.692 bits/residue, 22 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 334.119 bits/residue, 56 clashes 14.051 breaks # Cumulative usage by method: ## InsertFragment 4 ## ReduceClash 12 ## CrossOver 1 ## CrossAndInsert 9 ## TwoFragment 15 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 16 ## ReduceBreak 2 # generation 2: best score 323.633 bits/residue, 35 clashes # Cumulative usage by method: ## InsertFragment 11 ## ReduceClash 23 ## CrossOver 2 ## CrossAndInsert 25 ## TwoFragment 30 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 12 ## InsertAlignment 23 ## ReduceBreak 4 # generation 3: best score 306.871 bits/residue, 31 clashes # Cumulative usage by method: ## InsertFragment 20 ## ReduceClash 30 ## CrossOver 3 ## CrossAndInsert 47 ## TwoFragment 38 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 23 ## InsertAlignment 26 ## ReduceBreak 5 # generation 4: best score 303.763 bits/residue, 30 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 28 ## ReduceClash 37 ## CrossOver 3 ## CrossAndInsert 59 ## TwoFragment 54 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 30 ## InsertAlignment 34 ## ReduceBreak 5 # generation 5: best score 301.747 bits/residue, 29 clashes # Cumulative usage by method: ## InsertFragment 38 ## ReduceClash 51 ## CrossOver 4 ## CrossAndInsert 67 ## TwoFragment 62 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 43 ## InsertAlignment 38 ## ReduceBreak 5 # generation 6: best score 296.578 bits/residue, 21 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 46 ## ReduceClash 62 ## CrossOver 5 ## CrossAndInsert 75 ## TwoFragment 65 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 56 ## InsertAlignment 41 ## ReduceBreak 5 # best score in initial pool at pool[56] 327.364 bits/residue, 18 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 322.642 bits/residue, 31 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 8 ## ReduceClash 11 ## CrossOver 0 ## CrossAndInsert 12 ## TwoFragment 20 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 10 ## ReduceBreak 0 # generation 2: best score 317.582 bits/residue, 26 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 26 ## ReduceClash 17 ## CrossOver 0 ## CrossAndInsert 26 ## TwoFragment 32 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 12 ## InsertAlignment 12 ## ReduceBreak 0 # generation 3: best score 312.712 bits/residue, 13 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 37 ## ReduceClash 23 ## CrossOver 1 ## CrossAndInsert 40 ## TwoFragment 37 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 26 ## InsertAlignment 14 ## ReduceBreak 0 # generation 4: best score 308.36 bits/residue, 3 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 49 ## ReduceClash 29 ## CrossOver 2 ## CrossAndInsert 50 ## TwoFragment 43 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 45 ## InsertAlignment 17 ## ReduceBreak 0 # generation 5: best score 304.118 bits/residue, 16 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 58 ## ReduceClash 30 ## CrossOver 2 ## CrossAndInsert 56 ## TwoFragment 47 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 80 ## InsertAlignment 22 ## ReduceBreak 0 # generation 6: best score 302.937 bits/residue, 57 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 68 ## ReduceClash 31 ## CrossOver 2 ## CrossAndInsert 65 ## TwoFragment 48 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 112 ## InsertAlignment 23 ## ReduceBreak 0 # best score in initial pool at pool[58] 331.784 bits/residue, 81 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 326.452 bits/residue, 43 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 12 ## ReduceClash 11 ## CrossOver 0 ## CrossAndInsert 11 ## TwoFragment 15 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 5 ## InsertAlignment 12 ## ReduceBreak 0 # generation 2: best score 314.328 bits/residue, 67 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 21 ## ReduceClash 22 ## CrossOver 1 ## CrossAndInsert 23 ## TwoFragment 24 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 17 ## InsertAlignment 19 ## ReduceBreak 0 # generation 3: best score 308.426 bits/residue, 30 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 36 ## ReduceClash 28 ## CrossOver 3 ## CrossAndInsert 31 ## TwoFragment 31 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 33 ## InsertAlignment 24 ## ReduceBreak 0 # generation 4: best score 300.126 bits/residue, 35 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 47 ## ReduceClash 38 ## CrossOver 4 ## CrossAndInsert 34 ## TwoFragment 36 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 55 ## InsertAlignment 28 ## ReduceBreak 0 # generation 5: best score 298.423 bits/residue, 19 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 56 ## ReduceClash 43 ## CrossOver 6 ## CrossAndInsert 40 ## TwoFragment 40 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 84 ## InsertAlignment 29 ## ReduceBreak 0 # generation 6: best score 295.047 bits/residue, 23 clashes # Cumulative usage by method: ## InsertFragment 65 ## ReduceClash 47 ## CrossOver 8 ## CrossAndInsert 48 ## TwoFragment 46 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 111 ## InsertAlignment 31 ## ReduceBreak 0 # best score in initial pool at pool[10] 348.577 bits/residue, 64 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 332.445 bits/residue, 43 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 10 ## ReduceClash 9 ## CrossOver 1 ## CrossAndInsert 18 ## TwoFragment 13 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 8 ## ReduceBreak 0 # generation 2: best score 325.484 bits/residue, 21 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 18 ## ReduceClash 13 ## CrossOver 2 ## CrossAndInsert 34 ## TwoFragment 26 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 23 ## ReduceBreak 0 # generation 3: best score 314.972 bits/residue, 35 clashes # Cumulative usage by method: ## InsertFragment 33 ## ReduceClash 20 ## CrossOver 3 ## CrossAndInsert 43 ## TwoFragment 32 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 29 ## InsertAlignment 29 ## ReduceBreak 0 # generation 4: best score 310.802 bits/residue, 21 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 45 ## ReduceClash 23 ## CrossOver 3 ## CrossAndInsert 60 ## TwoFragment 38 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 44 ## InsertAlignment 34 ## ReduceBreak 0 # generation 5: best score 303.58 bits/residue, 43 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 56 ## ReduceClash 28 ## CrossOver 4 ## CrossAndInsert 72 ## TwoFragment 40 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 62 ## InsertAlignment 40 ## ReduceBreak 0 # generation 6: best score 296.664 bits/residue, 45 clashes # Cumulative usage by method: ## InsertFragment 65 ## ReduceClash 31 ## CrossOver 5 ## CrossAndInsert 83 ## TwoFragment 43 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 85 ## InsertAlignment 42 ## ReduceBreak 0 # best score in initial pool at pool[8] 342.953 bits/residue, 53 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 331.223 bits/residue, 69 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 6 ## ReduceClash 15 ## CrossOver 0 ## CrossAndInsert 11 ## TwoFragment 15 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 9 ## ReduceBreak 0 # generation 2: best score 311.984 bits/residue, 51 clashes 6.90081 breaks # Cumulative usage by method: ## InsertFragment 17 ## ReduceClash 33 ## CrossOver 0 ## CrossAndInsert 17 ## TwoFragment 25 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 19 ## InsertAlignment 18 ## ReduceBreak 0 # generation 3: best score 306.833 bits/residue, 21 clashes # Cumulative usage by method: ## InsertFragment 26 ## ReduceClash 43 ## CrossOver 0 ## CrossAndInsert 22 ## TwoFragment 34 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 38 ## InsertAlignment 27 ## ReduceBreak 0 # generation 4: best score 304.295 bits/residue, 9 clashes 6.9008 breaks # Cumulative usage by method: ## InsertFragment 33 ## ReduceClash 52 ## CrossOver 0 ## CrossAndInsert 26 ## TwoFragment 44 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 54 ## InsertAlignment 37 ## ReduceBreak 1 # generation 5: best score 298.509 bits/residue, 15 clashes 6.90081 breaks # Cumulative usage by method: ## InsertFragment 42 ## ReduceClash 64 ## CrossOver 0 ## CrossAndInsert 30 ## TwoFragment 52 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 74 ## InsertAlignment 43 ## ReduceBreak 1 # generation 6: best score 294.178 bits/residue, 15 clashes 6.90081 breaks # Cumulative usage by method: ## InsertFragment 45 ## ReduceClash 71 ## CrossOver 1 ## CrossAndInsert 39 ## TwoFragment 55 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 100 ## InsertAlignment 45 ## ReduceBreak 1 # best score in initial pool at pool[20] 319.158 bits/residue, 53 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 314.038 bits/residue, 51 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 13 ## ReduceClash 10 ## CrossOver 0 ## CrossAndInsert 7 ## TwoFragment 14 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 9 ## InsertAlignment 11 ## ReduceBreak 0 # generation 2: best score 312.619 bits/residue, 62 clashes # Cumulative usage by method: ## InsertFragment 22 ## ReduceClash 22 ## CrossOver 1 ## CrossAndInsert 15 ## TwoFragment 28 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 21 ## InsertAlignment 16 ## ReduceBreak 0 # generation 3: best score 303.228 bits/residue, 52 clashes # Cumulative usage by method: ## InsertFragment 32 ## ReduceClash 30 ## CrossOver 1 ## CrossAndInsert 25 ## TwoFragment 33 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 30 ## InsertAlignment 27 ## ReduceBreak 0 # generation 4: best score 302.002 bits/residue, 48 clashes # Cumulative usage by method: ## InsertFragment 47 ## ReduceClash 42 ## CrossOver 4 ## CrossAndInsert 35 ## TwoFragment 35 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 36 ## InsertAlignment 29 ## ReduceBreak 0 # generation 5: best score 302.002 bits/residue, 48 clashes # Cumulative usage by method: ## InsertFragment 56 ## ReduceClash 53 ## CrossOver 5 ## CrossAndInsert 45 ## TwoFragment 37 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 44 ## InsertAlignment 30 ## ReduceBreak 0 # generation 6: best score 300.788 bits/residue, 38 clashes # Cumulative usage by method: ## InsertFragment 67 ## ReduceClash 62 ## CrossOver 9 ## CrossAndInsert 53 ## TwoFragment 38 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 55 ## InsertAlignment 31 ## ReduceBreak 0 # best score in initial pool at pool[44] 349.158 bits/residue, 109 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 336.699 bits/residue, 100 clashes # Cumulative usage by method: ## InsertFragment 10 ## ReduceClash 14 ## CrossOver 0 ## CrossAndInsert 9 ## TwoFragment 18 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 9 ## ReduceBreak 1 # generation 2: best score 330.827 bits/residue, 107 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 21 ## ReduceClash 26 ## CrossOver 0 ## CrossAndInsert 21 ## TwoFragment 33 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 5 ## InsertAlignment 21 ## ReduceBreak 1 # generation 3: best score 326.175 bits/residue, 22 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 34 ## ReduceClash 39 ## CrossOver 0 ## CrossAndInsert 27 ## TwoFragment 44 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 34 ## ReduceBreak 1 # generation 4: best score 319.687 bits/residue, 28 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 44 ## ReduceClash 49 ## CrossOver 2 ## CrossAndInsert 38 ## TwoFragment 60 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 40 ## ReduceBreak 1 # generation 5: best score 310.157 bits/residue, 34 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 64 ## ReduceClash 55 ## CrossOver 4 ## CrossAndInsert 48 ## TwoFragment 66 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 9 ## InsertAlignment 49 ## ReduceBreak 1 # generation 6: best score 305.552 bits/residue, 52 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 78 ## ReduceClash 66 ## CrossOver 4 ## CrossAndInsert 62 ## TwoFragment 71 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 11 ## InsertAlignment 59 ## ReduceBreak 1 # best score in initial pool at pool[24] 325.212 bits/residue, 12 clashes 22.837 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 321.154 bits/residue, 11 clashes 22.837 breaks # Cumulative usage by method: ## InsertFragment 13 ## ReduceClash 10 ## CrossOver 0 ## CrossAndInsert 11 ## TwoFragment 13 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 7 ## ReduceBreak 2 # generation 2: best score 308.127 bits/residue, 16 clashes 22.837 breaks # Cumulative usage by method: ## InsertFragment 31 ## ReduceClash 17 ## CrossOver 0 ## CrossAndInsert 18 ## TwoFragment 22 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 17 ## ReduceBreak 3 # generation 3: best score 308.127 bits/residue, 16 clashes 22.837 breaks # Cumulative usage by method: ## InsertFragment 50 ## ReduceClash 21 ## CrossOver 2 ## CrossAndInsert 24 ## TwoFragment 32 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 22 ## InsertAlignment 22 ## ReduceBreak 6 # generation 4: best score 306.017 bits/residue, 18 clashes 22.837 breaks # Cumulative usage by method: ## InsertFragment 67 ## ReduceClash 31 ## CrossOver 4 ## CrossAndInsert 34 ## TwoFragment 39 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 26 ## InsertAlignment 28 ## ReduceBreak 7 # generation 5: best score 305.499 bits/residue, 5 clashes 9.24322 breaks # Cumulative usage by method: ## InsertFragment 83 ## ReduceClash 39 ## CrossOver 6 ## CrossAndInsert 39 ## TwoFragment 45 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 33 ## InsertAlignment 31 ## ReduceBreak 8 # generation 6: best score 301.221 bits/residue, 47 clashes 6.13205 breaks # Cumulative usage by method: ## InsertFragment 100 ## ReduceClash 49 ## CrossOver 7 ## CrossAndInsert 46 ## TwoFragment 49 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 41 ## InsertAlignment 34 ## ReduceBreak 8 # best score in initial pool at pool[64] 345.425 bits/residue, 45 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 335.182 bits/residue, 46 clashes # Cumulative usage by method: ## InsertFragment 10 ## ReduceClash 11 ## CrossOver 1 ## CrossAndInsert 10 ## TwoFragment 24 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 3 ## InsertAlignment 7 ## ReduceBreak 0 # generation 2: best score 326.919 bits/residue, 47 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 19 ## ReduceClash 18 ## CrossOver 3 ## CrossAndInsert 20 ## TwoFragment 47 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 14 ## ReduceBreak 0 # generation 3: best score 319.394 bits/residue, 69 clashes # Cumulative usage by method: ## InsertFragment 26 ## ReduceClash 23 ## CrossOver 5 ## CrossAndInsert 29 ## TwoFragment 69 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 13 ## InsertAlignment 22 ## ReduceBreak 0 # generation 4: best score 312.263 bits/residue, 63 clashes # Cumulative usage by method: ## InsertFragment 40 ## ReduceClash 30 ## CrossOver 7 ## CrossAndInsert 39 ## TwoFragment 88 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 18 ## InsertAlignment 24 ## ReduceBreak 0 # generation 5: best score 307.841 bits/residue, 64 clashes # Cumulative usage by method: ## InsertFragment 53 ## ReduceClash 35 ## CrossOver 9 ## CrossAndInsert 49 ## TwoFragment 100 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 27 ## InsertAlignment 31 ## ReduceBreak 0 # generation 6: best score 306.066 bits/residue, 51 clashes # Cumulative usage by method: ## InsertFragment 67 ## ReduceClash 38 ## CrossOver 11 ## CrossAndInsert 62 ## TwoFragment 112 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 38 ## InsertAlignment 32 ## ReduceBreak 0 # best score in initial pool at pool[66] 338.728 bits/residue, 20 clashes 5.22668 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 325.46 bits/residue, 22 clashes # Cumulative usage by method: ## InsertFragment 10 ## ReduceClash 11 ## CrossOver 1 ## CrossAndInsert 13 ## TwoFragment 13 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 5 ## InsertAlignment 9 ## ReduceBreak 4 # generation 2: best score 319.581 bits/residue, 17 clashes # Cumulative usage by method: ## InsertFragment 23 ## ReduceClash 21 ## CrossOver 2 ## CrossAndInsert 24 ## TwoFragment 28 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 20 ## ReduceBreak 4 # generation 3: best score 309.96 bits/residue, 49 clashes # Cumulative usage by method: ## InsertFragment 36 ## ReduceClash 26 ## CrossOver 3 ## CrossAndInsert 35 ## TwoFragment 40 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 12 ## InsertAlignment 33 ## ReduceBreak 4 # generation 4: best score 304.022 bits/residue, 44 clashes # Cumulative usage by method: ## InsertFragment 46 ## ReduceClash 33 ## CrossOver 5 ## CrossAndInsert 48 ## TwoFragment 53 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 18 ## InsertAlignment 43 ## ReduceBreak 4 # generation 5: best score 299.545 bits/residue, 55 clashes # Cumulative usage by method: ## InsertFragment 58 ## ReduceClash 38 ## CrossOver 7 ## CrossAndInsert 63 ## TwoFragment 64 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 21 ## InsertAlignment 52 ## ReduceBreak 4 # generation 6: best score 298.172 bits/residue, 29 clashes # Cumulative usage by method: ## InsertFragment 70 ## ReduceClash 39 ## CrossOver 8 ## CrossAndInsert 76 ## TwoFragment 71 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 27 ## InsertAlignment 59 ## ReduceBreak 4 # best score in initial pool at pool[37] 356.607 bits/residue, 95 clashes 6.31077 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 310.141 bits/residue, 15 clashes 6.76625 breaks # Cumulative usage by method: ## InsertFragment 12 ## ReduceClash 17 ## CrossOver 0 ## CrossAndInsert 6 ## TwoFragment 13 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 9 ## ReduceBreak 5 # generation 2: best score 307.105 bits/residue, 19 clashes 6.76625 breaks # Cumulative usage by method: ## InsertFragment 25 ## ReduceClash 34 ## CrossOver 0 ## CrossAndInsert 15 ## TwoFragment 25 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 16 ## ReduceBreak 6 # generation 3: best score 303.234 bits/residue, 15 clashes 6.76625 breaks # Cumulative usage by method: ## InsertFragment 39 ## ReduceClash 49 ## CrossOver 0 ## CrossAndInsert 23 ## TwoFragment 36 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 16 ## InsertAlignment 21 ## ReduceBreak 6 # generation 4: best score 301.374 bits/residue, 14 clashes 6.76625 breaks # Cumulative usage by method: ## InsertFragment 51 ## ReduceClash 63 ## CrossOver 0 ## CrossAndInsert 30 ## TwoFragment 44 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 26 ## InsertAlignment 24 ## ReduceBreak 6 # generation 5: best score 297.48 bits/residue, 8 clashes 6.91757 breaks # Cumulative usage by method: ## InsertFragment 60 ## ReduceClash 77 ## CrossOver 1 ## CrossAndInsert 37 ## TwoFragment 51 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 41 ## InsertAlignment 26 ## ReduceBreak 6 # generation 6: best score 294.333 bits/residue, 22 clashes 6.76625 breaks # Cumulative usage by method: ## InsertFragment 78 ## ReduceClash 91 ## CrossOver 1 ## CrossAndInsert 42 ## TwoFragment 52 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 53 ## InsertAlignment 27 ## ReduceBreak 7 # best score in initial pool at pool[25] 356.254 bits/residue, 70 clashes # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 331.26 bits/residue, 78 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 13 ## ReduceClash 11 ## CrossOver 1 ## CrossAndInsert 12 ## TwoFragment 15 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 3 ## InsertAlignment 9 ## ReduceBreak 0 # generation 2: best score 327.566 bits/residue, 94 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 21 ## ReduceClash 18 ## CrossOver 1 ## CrossAndInsert 27 ## TwoFragment 38 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 6 ## InsertAlignment 20 ## ReduceBreak 0 # generation 3: best score 314.064 bits/residue, 34 clashes # Cumulative usage by method: ## InsertFragment 42 ## ReduceClash 24 ## CrossOver 2 ## CrossAndInsert 40 ## TwoFragment 44 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 8 ## InsertAlignment 27 ## ReduceBreak 0 # generation 4: best score 311.552 bits/residue, 31 clashes # Cumulative usage by method: ## InsertFragment 57 ## ReduceClash 31 ## CrossOver 2 ## CrossAndInsert 56 ## TwoFragment 56 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 15 ## InsertAlignment 32 ## ReduceBreak 0 # generation 5: best score 304.781 bits/residue, 31 clashes # Cumulative usage by method: ## InsertFragment 77 ## ReduceClash 33 ## CrossOver 4 ## CrossAndInsert 68 ## TwoFragment 62 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 18 ## InsertAlignment 39 ## ReduceBreak 0 # generation 6: best score 298.918 bits/residue, 25 clashes # Cumulative usage by method: ## InsertFragment 98 ## ReduceClash 37 ## CrossOver 4 ## CrossAndInsert 79 ## TwoFragment 69 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 22 ## InsertAlignment 45 ## ReduceBreak 0 # best score in initial pool at pool[66] 338.894 bits/residue, 116 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 318.396 bits/residue, 39 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 8 ## ReduceClash 16 ## CrossOver 0 ## CrossAndInsert 12 ## TwoFragment 16 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 2 ## InsertAlignment 11 ## ReduceBreak 0 # generation 2: best score 312.587 bits/residue, 45 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 14 ## ReduceClash 34 ## CrossOver 0 ## CrossAndInsert 20 ## TwoFragment 40 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 2 ## InsertAlignment 18 ## ReduceBreak 0 # generation 3: best score 304.743 bits/residue, 41 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 27 ## ReduceClash 52 ## CrossOver 1 ## CrossAndInsert 27 ## TwoFragment 56 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 24 ## ReduceBreak 0 # generation 4: best score 300.08 bits/residue, 27 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 37 ## ReduceClash 66 ## CrossOver 1 ## CrossAndInsert 34 ## TwoFragment 71 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 28 ## ReduceBreak 0 # generation 5: best score 300.08 bits/residue, 27 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 46 ## ReduceClash 82 ## CrossOver 1 ## CrossAndInsert 48 ## TwoFragment 79 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 32 ## ReduceBreak 0 # generation 6: best score 297.601 bits/residue, 46 clashes # Cumulative usage by method: ## InsertFragment 58 ## ReduceClash 94 ## CrossOver 2 ## CrossAndInsert 59 ## TwoFragment 83 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 4 ## InsertAlignment 36 ## ReduceBreak 0 # best score in initial pool at pool[44] 336.354 bits/residue, 35 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 328.996 bits/residue, 95 clashes # Cumulative usage by method: ## InsertFragment 12 ## ReduceClash 11 ## CrossOver 0 ## CrossAndInsert 11 ## TwoFragment 17 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 10 ## InsertAlignment 4 ## ReduceBreak 0 # generation 2: best score 320.142 bits/residue, 15 clashes # Cumulative usage by method: ## InsertFragment 23 ## ReduceClash 20 ## CrossOver 1 ## CrossAndInsert 24 ## TwoFragment 33 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 15 ## InsertAlignment 13 ## ReduceBreak 0 # generation 3: best score 310.799 bits/residue, 18 clashes # Cumulative usage by method: ## InsertFragment 34 ## ReduceClash 35 ## CrossOver 2 ## CrossAndInsert 33 ## TwoFragment 44 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 23 ## InsertAlignment 18 ## ReduceBreak 0 # generation 4: best score 307.666 bits/residue, 6 clashes # Cumulative usage by method: ## InsertFragment 44 ## ReduceClash 45 ## CrossOver 5 ## CrossAndInsert 41 ## TwoFragment 56 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 33 ## InsertAlignment 25 ## ReduceBreak 0 # generation 5: best score 302.33 bits/residue, 58 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 56 ## ReduceClash 54 ## CrossOver 5 ## CrossAndInsert 48 ## TwoFragment 63 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 49 ## InsertAlignment 32 ## ReduceBreak 0 # generation 6: best score 296.556 bits/residue, 46 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 69 ## ReduceClash 61 ## CrossOver 6 ## CrossAndInsert 51 ## TwoFragment 65 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 68 ## InsertAlignment 39 ## ReduceBreak 0 # best score in super_pool at pool[7] 288.369 bits/residue, 28 clashes 0 breaks # optimizing backbone with 70 conformations in pool # doing 6 generations, with 350 new conformations in each generation. # keep at most 28 conformations from old pool # generation 1: best score 288.369 bits/residue, 28 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 11 ## ReduceClash 8 ## CrossOver 0 ## CrossAndInsert 9 ## TwoFragment 6 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 7 ## InsertAlignment 4 ## ReduceBreak 1 # generation 2: best score 288.369 bits/residue, 28 clashes 0 breaks # Cumulative usage by method: ## InsertFragment 21 ## ReduceClash 12 ## CrossOver 0 ## CrossAndInsert 19 ## TwoFragment 11 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 21 ## InsertAlignment 6 ## ReduceBreak 1 # generation 3: best score 283.737 bits/residue, 14 clashes # Cumulative usage by method: ## InsertFragment 29 ## ReduceClash 13 ## CrossOver 0 ## CrossAndInsert 24 ## TwoFragment 13 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 46 ## InsertAlignment 7 ## ReduceBreak 1 # generation 4: best score 283.238 bits/residue, 13 clashes # Cumulative usage by method: ## InsertFragment 45 ## ReduceClash 16 ## CrossOver 0 ## CrossAndInsert 28 ## TwoFragment 13 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 68 ## InsertAlignment 10 ## ReduceBreak 1 # generation 5: best score 282.33 bits/residue, 8 clashes # Cumulative usage by method: ## InsertFragment 47 ## ReduceClash 18 ## CrossOver 0 ## CrossAndInsert 29 ## TwoFragment 13 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 109 ## InsertAlignment 11 ## ReduceBreak 1 # generation 6: best score 280.205 bits/residue, 2 clashes # Cumulative usage by method: ## InsertFragment 50 ## ReduceClash 20 ## CrossOver 0 ## CrossAndInsert 30 ## TwoFragment 13 ## InsertSSBond 0 ## OneRotamer 0 ## ClashingRotamer 157 ## InsertAlignment 11 ## ReduceBreak 1 # command:# naming current conformation t97-opt # command:# command:# ScwrlConform produces command scwrl -i /projects/compbio/tmp/to_scwrl_696150189.pdb -s /projects/compbio/tmp/to_scwrl_696150189.seq -o /projects/compbio/tmp/from_scwrl_696150189.pdb > /projects/compbio/tmp/scwrl.log # conformation set from SCWRL output # command:# naming current conformation t97-opt-scwrl # command:# command:# ScoreConform t97-init-opt 397.404 bits/residue, 209 clashes t97-opt at pool[1] 280.205 bits/residue, 2 clashes t97-opt-scwrl at pool[2] 282.563 bits/residue, 7 clashes # command: