VMD-L Mailing List

From: Wim R. Cardoen (wcardoen_at_gmail.com)
Date: Mon Jan 23 2012 - 15:36:19 CST

Hello,

I compiled vmd version 1.9 from source (advised by Dr. Stone when heavy
python use is prevalent)
The configure options were:
LINUXAMD64 FLTK TK NETCDF TCL PYTHON PTHREADS NUMPY

However, when I invoke the python script trial.py in vmd:
'vmd -dispdev text -python -e trial.py'
of which the first lines are:

-----------------------------------------------------------------------------------
import sys
import optparse
from atomsel import *
from atomsel import AtomSel
from Molecule import Molecule
from VMD import evaltcl
--------------------------------------------------------------------------------

I immediately get the following error:
--------------------------------------------------------------------------------
vmd -dispdev text -python -e trial.py
Info) VMD for LINUXAMD64, version 1.9 (January 23, 2012)
Info) http://www.ks.uiuc.edu/Research/vmd/
Info) Email questions and bug reports to vmd_at_ks.uiuc.edu
Info) Please include this reference in published work using VMD:
Info) Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual
Info) Molecular Dynamics', J. Molec. Graphics 1996, 14.1, 33-38.
Info) -------------------------------------------------------------
Info) Multithreading available, 8 CPUs detected.
Info) Free system memory: 11100MB (92%)
Info) Starting Python...
Info) Text interpreter now Python
Traceback (most recent call last):
  File "VMD", line 7, in <module>
ImportError: cannot import name AtomSel
----------------------------------------------------------------------------------

The python script AtomSel.py is present in the lib/vmd/scripts/python
subdirectory of vmd.

Any suggestions?

Thanks,

Wim