Warren ,
Are you aware of the python MMTK molecular dynamics package?
AMBER force field and energy minimisation are there!
Could this be easily interfaced with pymol?
http://starship.python.net/crew/hinsen/MMTK/
I had a play with it but I don't really know what I am doing and need
to learn....
Dan
On Tuesday, September 9, 2003, at 09:08 PM,
[email protected] wrote:
We'd all like to see a real forcefield in PyMOL, but no one has written
the code yet.
Cheers,
Warren
Dr. Daniel James White BSc. (Hons.) PhD
Cell Biology
Department of biological and environmental science
PO Box 35
University of Jyväskylä
Jyväskylä FIN 40014
Finland
+358 (0)14 260 4183 (work)
+358 (0)414740463 (mob)
http://www.chalkie.org.uk
[email protected]
[email protected]
