On Tue, 20 Aug 2002, Peter C. McCluskey wrote: > >The other thing I'd find useful is some molecular mechanics tools, > >particularly energy minimization. Blending PyMOL with MMTK seems like a > >good way to do this, since MMTK's license looks fairly liberal.
I think we're all of the same mind on this : ) > There shouldn't be any licensing problems, and you could probably get > some help from Konrad Hinsen (the main author of MMTK), but I suspect it > would be a good deal of work to do it cleanly. It might be fairly easy to > kludge something up that involved communicating with MMTK mainly via > pdb files. Konrad and I have been talking about this for some time, but neither of us has had enough time to look seriouly at it. You can jerry-rig a PDB file interface in a few minutes, but the potential interaction between the two programs could be much more robust (and bi-directional!). Warren
