07 May 2009 Grant Thiltgen In each of the alphabet directories (bys, str, burial...), there is a small Makefile that sets a few alphabet specific-variables and then does an 'include' of Make.alphabet in the parent directory. If you create a new alphabet directory (or update an existing one) copy the template Makefile from starter-directory and edit it as appropriate. Then use the 'make' targets in Make.alphabet to create scripts or other files as needed, by invoking 'make' in the alphabet directory, possibly with various other make macros set on the command line. In order to create the subdirectories needed for each new alphabet run: make dirs After finishing the prerequisites listed below, and you are ready for the testing, there are many makes to be run. The makes must be run in the following order, and each one must be finished before running the next one: make trAB-mult50.scripts make trAB-mult50.run make collect-mult50-data make trAB-mult150.scripts make trAB-mult150.run make collect-mult150-data make trAB-mult250.scripts make trAB-mult250.run make collect-mult250-data make trAB-test.scripts make trAB-test.run make collect-test-data The final report will be in the quality-reports subdirectory. Sat Jul 9 22:38:48 PDT 2005 Kevin Karplus Some prerequisites: In the networks subdirectory of the alphabet directory, there must be a blank network of the appropriate structure (currently IDGaaH13-3-13-7-13-9-13-11-pb-empty.net In the training-data subdirectory of this directory, there must be the 3-fold cross-validation set based on dunbrack-30pc-1763. For example, the following commands make the t04 cross-validation set for the t04-thin90 alignments: make dunbrack-30pc-1763-1.t04-thin90-pb dunbrack-30pc-1763-2.t04-thin90-pb dunbrack-30pc-1763-3.t04-thin90-pb In the pce/models.97/pdb/ directories for the chains of the training and test set, there must be the appropraite correct local structure file: for example 4u/4ubpA/info/4ubpA.stride-mixed.pb In pc/lib/alphabet/dunbrack-in-scop.backgrounds, make sure that there is a set of background probabilities for the alphabet being trained for. Probabilities vectors can be found for most alphabets in ~karplus/dna/predict-2nd/compare-real/comparisons/ where there are contingency tables comparing different alphabets. Everything listed below is the old protocol and does not need to be run. Sun Jul 10 09:52:34 PDT 2005 Kevin Karplus Read the instructions in starter-directory/README When you are ready, do make TXXALIGN=t04-thin90 tAcB.scripts run-tAcB make TXXALIGN=t2k-thin90 tAcB.scripts run-tAcB Note: for the paper, we'll need to compare 2 architectures also--see starter-directory/run_makescripts: make TXXALIGN=t04-thin90 ARCHITECTURE=IDaaHr-5-15-7-15-9-15-13 tAcB.scripts run-tAcB make TXXALIGN=t2k-thin90 ARCHITECTURE=IDaaHr-5-15-7-15-9-15-13 tAcB.scripts run-tAcB or use the "para create" mechanism described in starter-directory/README