Hi, does anyone know python and modeller very well and give us some help to run a model evaluation script for 100 homology models. (how to set 'EGPh.B99990001.pdb' as a variable and make it like a loop so the number can be increased by 1 in the next run), or another other ways you know?

It will be so appreciated and thanks. The items need to be updated in the loop are bolded in the following script. ---------------------------------------------------------------------------------------------------------------------- from modeller import * from modeller.automodel import * # Load the automodel class log.verbose() # request verbose output env = environ() # create a new MODELLER environment to build this model in env.libs.topology.read(file='$(LIB)/top_heav.lib') # read topology env.libs.parameters.read(file='$(LIB)/par.lib') # read parameters # directories for input atom files env.io.atom_files_directory = './:../atom_files' # read model file mdl = model(env) mdl.read(file='EGPh.B99990001.pdb') aln = alignment(env) code = "EGPh" # generate topology aln.append_model(mdl, atom_files='EGPh.B99990001.pdb', align_codes=code) aln.append_model(mdl, atom_files='EGPh.B99990001.pdb', align_codes=code+'-ini') mdl.generate_topology(aln, sequence=code+'-ini') mdl.transfer_xyz(aln) mdl.assess_dope(output='ENERGY_PROFILE NO_REPORT', file='EGPh.profile', normalize_profile=True, smoothing_window=15) ----------------------------------------------------------------------------------------------------------------------------

EGPh.BL01220001.pdb EGPh.BL01570001.pdb EGPh.BL01920001.pdb EGPh.BL01230001.pdb EGPh.BL01580001.pdb EGPh.BL01930001.pdb EGPh.BL01240001.pdb EGPh.BL01590001.pdb EGPh.BL01940001.pdb EGPh.BL01250001.pdb EGPh.BL01600001.pdb EGPh.BL01950001.pdb EGPh.BL01260001.pdb EGPh.BL01610001.pdb EGPh.BL01960001.pdb EGPh.BL01270001.pdb EGPh.BL01620001.pdb EGPh.BL01970001.pdb EGPh.BL01280001.pdb EGPh.BL01630001.pdb EGPh.BL01980001.pdb EGPh.BL01290001.pdb EGPh.BL01640001.pdb EGPh.BL01990001.pdb EGPh.BL01300001.pdb EGPh.BL01650001.pdb EGPh.BL02000001.pdb EGPh.BL01310001.pdb EGPh.BL01660001.pdb EGPh.IL00000001.pdb EGPh.BL01320001.pdb EGPh.BL01670001.pdb EGPh.BL01330001.pdb EGPh.BL01680001.pdb

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