#!/bin/csh setenv LC_ALL C # use traditional ordering in sort # BUG: mergetbl is slow and sorts the output, but at least it checks # that the structure of the rdb files are compatible cat T0293/decoys/evaluate.rdb \ | scripts/difference-evaluation -cost real_cost -cost log_rmsd -cost log_rmsd_ca -cost GDT \ > 293.tmp headchg -gen -copy 293.tmp > merged-scwrl-diff.rdb.tmp rm 293.tmp foreach x ( T0*/decoys/evaluate.pretty T0*/decoys/evaluate_[0-9].pretty) echo merging scwrl-diff $x:r.rdb cat $x:r.rdb \ | scripts/difference-evaluation -cost real_cost -cost log_rmsd -cost log_rmsd_ca -cost GDT \ | mergetbl -add target merged-scwrl-diff.rdb.tmp > merged-scwrl-diff.rdb.tmp2 mv -f merged-scwrl-diff.rdb.tmp2 merged-scwrl-diff.rdb.tmp end mv -f merged-scwrl-diff.rdb.tmp merged-scwrl-diff.rdb cat T0293/decoys/evaluate.rdb \ | scripts/difference-evaluation -cost real_cost -cost log_rmsd -cost log_rmsd_ca \ -cost GDT -suffix .gromacs0 \ > 293.tmp headchg -gen -copy 293.tmp > merged-gromacs0-diff.rdb.tmp rm 293.tmp foreach x ( T0*/decoys/evaluate.pretty T0*/decoys/evaluate_[0-9].pretty) echo merging gromacs0-diff $x:r.rdb cat $x:r.rdb \ | scripts/difference-evaluation -cost real_cost -cost log_rmsd -cost log_rmsd_ca \ -cost GDT -suffix .gromacs0 \ | mergetbl -add target merged-gromacs0-diff.rdb.tmp > merged-gromacs0-diff.rdb.tmp2 mv -f merged-gromacs0-diff.rdb.tmp2 merged-gromacs0-diff.rdb.tmp end mv -f merged-gromacs0-diff.rdb.tmp merged-gromacs0-diff.rdb cat T0293/decoys/evaluate.rdb \ | scripts/difference-evaluation -cost real_cost -cost log_rmsd -cost log_rmsd_ca \ -cost GDT -suffix .repack-nonPC \ > 293.tmp headchg -gen -copy 293.tmp > merged-repack-nonPC-diff.rdb.tmp rm 293.tmp foreach x ( T0*/decoys/evaluate.pretty T0*/decoys/evaluate_[0-9].pretty) echo merging repack-nonPC-diff $x:r.rdb cat $x:r.rdb \ | scripts/difference-evaluation -cost real_cost -cost log_rmsd -cost log_rmsd_ca \ -cost GDT -suffix .repack-nonPC \ | mergetbl -add target merged-repack-nonPC-diff.rdb.tmp > merged-repack-nonPC-diff.rdb.tmp2 mv -f merged-repack-nonPC-diff.rdb.tmp2 merged-repack-nonPC-diff.rdb.tmp end mv -f merged-repack-nonPC-diff.rdb.tmp merged-repack-nonPC-diff.rdb headchg -gen -copy T0293/decoys/evaluate.rdb > merged-evaluate.rdb.tmp foreach x ( T0*/decoys/evaluate.pretty T0*/decoys/evaluate_[0-9].pretty) echo merging $x:r.rdb mergetbl -add name $x:r.rdb < merged-evaluate.rdb.tmp > merged-evaluate.rdb.tmp2 mv -f merged-evaluate.rdb.tmp2 merged-evaluate.rdb.tmp # headchg -del -ndoc $x:r.rdb < $x:r.rdb >> merged-evaluate.rdb.tmp end mv -f merged-evaluate.rdb.tmp merged-evaluate.rdb echo merging for merged-evaluate.rdb done.