# # from glob import glob import threading import time from pymol import cmd import sys, os, os.path from chempy.champ import Champ from pymol import preset ent_dir = "pdb" cmd.set("auto_zoom","off") def load(): cmd.set("valence") r = 0 list = glob("pdb/*/*") (x,y,z)=(0,0,0) start = time.time() count = 1 scale = 100.0 for file in list: cmd.load(file,str(count),quiet=1) cmd.translate([x*scale,y*scale,z*scale],object=str(count)) # cmd.disable(str(count)) atoms = cmd.count_atoms() passed = time.time()-start print "%3d structures/%5.1f sec = %8.1f atom/sec over %6d atoms"%(count,passed,atoms/passed,atoms) count = count + 1 if count>100: break x = x + 1 if x>7: x = 0 y = y + 1 if y>7: y = 0 z = z + 1 if z>9: y = 0 z = z + 1 cmd.zoom() cmd.set("sphere_mode",1) cmd.as("spheres") cmd.rebuild() cmd.set("hash_max",250) #cmd.feedback('disable','symmetry objectmolecule executive','everything') load() cmd.set("matrix_mode",1)