VMD-L Mailing List
From: Stef (steletch_at_free.fr)
Date: Tue Mar 01 2005 - 08:54:24 CST
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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
-- http://www.steletch.org Fingerprint: 1E83 26EE A2F1 87E5 5865 4DBF F2B4 9083 F44C AE88 GPG key @ http://www.steletch.org/article.php3?id_article=13 Mandrakelinux release 10.1 (Official) @ http://www.mandrakesoft.com/ 15:36:45 up 7:15, 1 user, load average: 2.27, 1.98, 1.53
- Next message: James MacDonald: "Re: Re: vmd not starting up on Fedora core 3 linux , InsightII to blame"
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- Reply: John Stone: "Re: Problem using ied.py"
- Reply: John Stone: "Re: Problem using ied.py"
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