# # basic run through the PDB with ray-tracing # from glob import glob import threading import time import whrandom from pymol import cmd import sys, os, os.path import pymol ent_dir = "pdb" pymol.run = 1 cmd.set_key('F1',lambda p=pymol:(setattr(p,'run',0))) cmd.set_key('F2',lambda p=pymol:(setattr(p,'run',1))) def load(): r = 0 rep = [ "simple", "technical", "ligands", "ligand_sites","ligand_sites_trans","ligand_sites_mesh","pretty", "publication" ] list = glob("pdb/*/*") # while list[0]!="pdb/f8/pdb1f8u": # list.pop(0) for file in list: print file cmd.delete('pdb') cmd.load(file,'pdb') cmd.orient('pdb') cur_rep = rep.pop(0) rep = rep + [cur_rep] getattr(pymol.preset,cur_rep)('pdb') cmd.refresh() # give PyMOL a chance time.sleep(0.02) time.sleep(0.02) time.sleep(0.02) time.sleep(0.02) cmd.refresh() time.sleep(0.02) time.sleep(0.02) time.sleep(0.02) time.sleep(0.02) while(pymol.run==0): time.sleep(0.1) load()