VMD-L Mailing List

From: Stef (steletch_at_free.fr)
Date: Tue Mar 01 2005 - 08:54:24 CST

In latest VMD 1.8.3 there is the Interactive Essential Dynamics plugin
located in /usr/local/lib/vmd/plugins/noarch/python/ied

I'm trying to load it into vmd :
gopython /usr/local/lib/vmd/plugins/noarch/python/ied/ied.py

But i'm stuck with this error message :

vmd > gopython /usr/local/lib/vmd/plugins/noarch/python/ied/ied.py
Info) Text interpreter now Python
Traceback (most recent call last):
  File "VMD", line 19, in ?
ImportError: No module named vmdnumpy

Whereas i have the module numpy on my computer :
/usr/lib/python2.3/site-packages/Numeric/_numpy.so

My system is Mandrakelinux 10.1 Official with :

libpython2.3-2.3.4-6.1.101mdk
python-numeric-23.1-2mdk
python-2.3.4-6.1.101mdk
libpython2.3-devel-2.3.4-6.1.101mdk
python-base-2.3.4-6.1.101mdk
python-gtk-0.6.11-6mdk
python-gtk-devel-0.6.11-6mdk

Could it be that a path is missing ?
While commenting the firsts vmd-specific lines of the program :
line 19 : #import molecule,vmdcallbacks,vmdnumpy,trans,animate,graphics
line 20 : #import Molecule

I can get the script running :
[stephane_at_bioinfo ied-2.02]$ python2.3 ied_test.py

Interactive Essential Dynamics v 2.0 (http://mccammon.ucsd.edu/ied)
Copyright John Mongan <jmongan_at_mccamon.ucsd.edu>, 2003, 2004

Citation: Interactive Essential Dynamics. John Mongan. Journal of
          Computer-Aided Molecular Design. In press.

This library is provided under the LGPL with ABSOLUTELY NO WARRANTY.

There is probably one initialisation part missing in gopython, but i've
not found where as for now.

Thanks a lot in advance for the help.

Stéphane Teletchéa 

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