Are there free molecular libraries written in python ?

X

Xiao Jianfeng

Hi,

Are there any free libraries for the analysis and manipulation of
molecular structural models, implemented in the Python programming
language ?

Thanks.
 
A

Alessandro Bottoni

Xiao said:
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
 

Ask a Question

Want to reply to this thread or ask your own question?

You'll need to choose a username for the site, which only take a couple of moments. After that, you can post your question and our members will help you out.

Ask a Question

Members online

No members online now.

Forum statistics

Threads
473,755
Messages
2,569,536
Members
45,014
Latest member
BiancaFix3

Latest Threads

Top