VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Nov 23 2009 - 17:30:30 CST

Hi,
  I plan to post this for people to try out shortly, but have
just returned from travelling briefly before travelling again
later this week. If you can hold out for a few days I will
try and get this done.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Nov 23, 2009 at 05:30:17PM +0100, Tru Huynh wrote:
> Hello,
>
> Would it be possible to download the python version fom vmd-1.8.7 amd64?
> http://www.ks.uiuc.edu/Research/vmd/plugins/pythonlib provides the 1.8.3..6 versions
> not the latest one ;)
>
>
> [tru_at_d5400xs ~]$ vmd -dispdev text -python
> Info) VMD for LINUXAMD64, version 1.8.7 (August 1, 2009)
> 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: 7707MB (96%)
> Info) Detected 2 available CUDA accelerators:
> Info) [0] GeForce GTX 280 30 SM_1.3 @ 1.30 GHz, 1023MB RAM, OIO, ZCP
> Info) [1] Quadro FX 1700 4 SM_1.1 @ 0.92 GHz, 511MB RAM, KTO, OIO
> Info) Creating CUDA device pool and initializing hardware...
> Info) Starting Python...
> Could not find platform independent libraries <prefix>
> Could not find platform dependent libraries <exec_prefix>
> Consider setting $PYTHONHOME to <prefix>[:<exec_prefix>]
> 'import site' failed; use -v for traceback
> Traceback (most recent call last):
> File "<string>", line 1, in <module>
> ValueError: vmdnumpy module not available.
> Info) Text interpreter now Python
> Traceback (most recent call last):
> File "<string>", line 1, in <module>
> File "/c5/shared/vmd/vmd-1.8.7/scripts/python/Tkinter.py", line 59, in <module
> >
> import _tkinter # If this fails your Python may not be configured for Tk
> ImportError: No module named _tkinter
> >>>
> Info) Text interpreter now Tcl
> vmd > vmdinfo options
> LINUXAMD64 OPENGL FLTK TK ACTC CUDA IMD LIBSBALL XINPUT LIBTACHYON VRPN NETCDF TCL PYTHON PTHREADS NUMPY SILENT
> vmd > quit
> Info) VMD for LINUXAMD64, version 1.8.7 (August 1, 2009)
> Info) Exiting normally.
> Info) Done with Python.
>
> vmd-1.8.6 + python works fine (once PYTHONHOME defined properly):
> [tru_at_d5400xs ~]$ vmd-1.8.6 -dispdev text -python
> Info) VMD for LINUXAMD64, version 1.8.6 (April 6, 2007)
> 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: 7706MB (96%)
> Info) Starting Python...
> Info) Text interpreter now Python
> >>>
> Info) Text interpreter now Tcl
> vmd > vmdinfo options
> LINUXAMD64 OPENGL FLTK TK ACTC IMD SPACEBALL LIBTACHYON VRPN NETCDF TCL PYTHON PTHREADS NUMPY SILENT
> vmd > quit
> Info) VMD for LINUXAMD64, version 1.8.6 (April 6, 2007)
> Info) Exiting normally.
> Info) Done with Python.
> [tru_at_d5400xs ~]$
>
> Thanks
>
> Tru
> --
> Dr Tru Huynh | http://www.pasteur.fr/recherche/unites/Binfs/
> mailto:tru_at_pasteur.fr | tel/fax +33 1 45 68 87 37/19
> Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078