From: Albert (
Date: Mon Apr 22 2013 - 01:39:37 CDT


  I am trying to run pbc command in a python script:

import sys
from atomsel import atomsel
from Molecule import Molecule
from VMD import evaltcl

evaltcl('pbc wrap -compound residue -center com -centersel protein -all')

with command:

vmd2 P-in.cms all.dtr -python -dispdev text -e

but it always failed with messages:

Traceback (most recent call last):
   File "VMD", line 10, in <module>
   File "/soft/vmd-1.9.1.src/vmd-1.9.1/lib/vmd/scripts/python/",
line 92, in evaltcl
     return VMDevaltcl(args)
ValueError: invalid command name "pbc"

thank you very much