'/home/anthill/fzheng/home/searchDB/bc-30-sc-20141022-newpds/list']) ldir = General.createLocalSpace() odir = os.getcwd() errorfree = True smart = False if args.rmsd == None: smart = True else: rmsdeff = args.rmsd for pdb in args.p: # set rmsd cutoff using Craig's function residues = PDB.ConRes(pdb) segments = Fragment.getSegments(residues) if smart: rmsdeff = mustpress.rmsdEff(segments, args.params[0], args.params[1]) seqout = args.head + '_' + General.changeExt(pdb, 'seq') matchout = General.changeExt(seqout, 'match') if os.path.isfile(seqout): continue # search is additonal to a previous round if args.more != None: oseqf = args.more + '_' + General.changeExt(pdb, 'seq') if not os.path.isfile(oseqf): continue olen = sum([1 for x in open(oseqf)])
