war...@sunesis.com (Warren L. DeLano) writes:
>If someone can find a better open-source surface calculation code, I'd be
>happy to include it in PyMOL as an option. The only catches: it must be
>written in C, and it must be available under a BSD-style open-source
>license (free for commercial use
Hi Dr. Warren!
I know about MSMS license. Indeed, I'm suggesting an approach
similar to what VMD did, i.e., it can link, run and catch results to plot,
all that as a option conditioned to one gets or not MSMS installed,
separately, in one's machine.
Sanner had done and released a
Alan,
Last I checked, MSMS was saddled with a number of constraints on its usage
and redistribution. Though source code can be obtained under certain
conditions, MSMS doesn't meet the minimal "open-source" software
requirements that would make it eligible for inclusion into PyMOL. I
talked with
Hi List!
Dear Dr. Warren, have you consider using MSMS to generate surface
in Pymol, as VMD already does?
Since MSMS can generate a list too, by using another programs, I
could calculate properties to each point in the mesh. So, I wonder,
applying a colour method linked to such p
Kaushik,
Good questions.
(1) PyMOL doesn't show the solvent accessible surface, rather it shows the
solvent/protein contact surface. The solvent accessible surface area is
usually defined as the surface traced out by the center of a water sphere,
having a radius of about 1.4 angstroms
