[Chimera-users] New Chimera molecular surface code
goddard at cgl.ucsf.edu
Wed Mar 21 18:33:16 PDT 2007
Conrad Huang is writing new molecular surface code and I believe it
will also calculate solvent accessible surfaces. We recently decided it
will not be ready for the next Chimera production release in a few
months. It is a complex calculation and I'm not sure when it will be
Chimera can read a GRASP surface from a file (just use File / Open,
file suffix .srf) and color it in the same way it colors MSMS surfaces.
Miguel Ortiz Lombardia wrote:
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> Hi Tom,
> I would like to know if there has been any advancement in changing the
> surfaces code. I know you had plans to write your own so that chimera
> would not rely on msms, and I am very interested in this development
> because it would allow the use of solvent accessible surfaces apart from
> molecular surfaces. The former are more appropriate, among other
> questions, to map electrostatic potential maps (less local effects). I
> would be happy to test around, if you need testers. Unfortunately my
> programming skills are quite minimal.
> But I'll be patient anyway ;-)
> Thanks to all of you for this great tool!
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