[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 cylinder

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 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 coordinates o

Re: [PyMOL] COVER image

2007-11-22 Thread William Scott
'turn z, 270' (sorry) On Tue, 20 Nov 2007, Vincent Chaptal wrote: Hello, I am trying to make a picture for a cover and I am wondering how to make a vertical image. (Pymol creates horizontal images, and journal covers are vertical) Is there a way to creates those

[PyMOL] Measuring between surfaces

2007-11-22 Thread Jame R.Ketudat-Cairns
Dear all, I would like to know if there is a way to measure between surfaces (actually two parts of one surface) in pymol or another program. We would like to measure the active site of our enzyme structure, and noticed that authors of related structures had done this type of measurement wit

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

2007-11-22 Thread JJ
>> From: Robert Campbell - 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 algorithm. Ar

[PyMOL] obtaining coordinates of solvent-surface points

2007-11-22 Thread JJ
>> From: JJ - 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 atom? Or mo