[Chimera-users] New Chimera molecular surface code

[Tom Goddard]

Hi Miguel,

 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 
available.

 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.

   Tom


Miguel Ortiz Lombardia wrote:
> -----BEGIN PGP SIGNED MESSAGE-----
> Hash: SHA1
>
> 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!
>
> Cheers,
>
>
>
> Miguel
>