Are there free molecular libraries written in python ?
Alessandro Bottoni
alessandro.bottoni at infinito.it
Fri Sep 2 02:21:21 EDT 2005
Xiao Jianfeng wrote:
> Hi,
>
> Are there any free libraries for the analysis and manipulation of
> molecular structural models, implemented in the Python programming
> language ?
>
> Thanks.
What about the followings?
MMTK = http://starship.python.net/crew/hinsen/MMTK/
PyMol = http://pymol.sourceforge.net/ (Just model visualization, I'm afraid)
Chimera = http://www.cgl.ucsf.edu/chimera/
Other projects you should be aware of:
SciPy = http://www.scipy.org/
BioPython = http://biopython.org/scriptcentral/
Other Python/Science resources and articles:
http://starship.python.net/crew/hinsen/
http://www.dalkescientific.com/writings/PyCon2004.html
http://www.foretec.com/python/workshops/1998-11/demosession/dalke.html
http://www.swig.org/papers/Py97/beazley.html
And, of course, have a look at these Python software repositories:
http://www.python.org/pypi
http://www.vex.net/parnassus/
And at these generic software repositories:
http://freshmeat.net/
http://sourceforge.net/
(search or browse for scientific/chemistry)
HTH
-----------------------------------
Alessandro Bottoni
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