Re: [PyMOL] obtaining coordinates of solvent-surface points

2007-11-23 Thread DeLano Scientific
To: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] obtaining coordinates of solvent-surface points From: Robert Campbell robert.campb...@qu... - 2007-11-22 21:56 Rather than use PyMOL's surface, I've used the triangulated surface output by Michel Sanner's msms program

[PyMOL] obtaining coordinates of solvent-surface points

2007-11-22 Thread JJ
Hello: Im new at pymol and would like to obtain the coordinates of the dots that make up the solvent-accessible surface. I can obtain the vertices using cmd.get_povray()[1], but that will give me a list of coordinates of open cylinders with spheres at either end. Perhaps these sphere and

Re: [PyMOL] obtaining coordinates of solvent-surface points

2007-11-22 Thread Robert Campbell
Hello John, On Thu, 22 Nov 2007 12:36:32 -0800 (PST), JJ josh8...@yahoo.com wrote: Hello: Im new at pymol and would like to obtain the coordinates of the dots that make up the solvent-accessible surface. I can obtain the vertices using cmd.get_povray()[1], but that will give me a list of

Re: [PyMOL] obtaining coordinates of solvent-surface points

2007-11-22 Thread JJ
From: Robert Campbell robert.campb...@qu... - 2007-11-22 21:56 Rather than use PyMOL's surface, I've used the triangulated surface output by Michel Sanner's msms program. Thanks much Rob. Can you please tell me why it might be better to use msms to calculate surface points rather than the

[PyMOL] obtaining coordinates of solvent-surface points

2007-11-22 Thread JJ
From: JJ josh8...@ya... - 2007-11-22 20:36 Hello: Im new at pymol and would like to obtain the coordinates of the dots that make up the solvent-accessible surface. I should have also asked in my original post, is there a way in pymol to determine the solvent-accessible surface for a particular