From: Mike M. <mar...@ho...> - 2013-03-27 10:24:48
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I have a similar requirement, taking density and potential dstriutbutions from jdftx which are written as plain binarry doubles. I use a script and some code to create an xplor file which seems to work but I have to adjust the position and scale to let it overlay the ion positions that I read from an xyz file. AFAICT xplor is about the only easy format that pymol takes but I was debating about trying to find others. i think I dug through my older version of pymol, went to the effort of changing it all to c++/extern c and then dropped it. The xplor approch seems to work well enough for now. Is there an easier way? Thanks. ---------------------------------------- > Date: Wed, 27 Mar 2013 13:41:24 +0400 > From: jms...@gm... > To: pym...@li... > Subject: [PyMOL] Electrostatic potential surface > > Dear PyMol users! > > > I wounder to know about built-in PyMol option for electrostatic > potential visualisation. > > For example I have pdb coordinates of my protein as well as its > electrostatic potential distribution (calculated by another software). > Using MolMol with both of that files I can visualize the electrostatic > potential surface by means of "PaintSurface" option. Can I do the same > with the PyMOl? > > > > Thanks for help, > > > James > > ------------------------------------------------------------------------------ > Own the Future-Intel® Level Up Game Demo Contest 2013 > Rise to greatness in Intel's independent game demo contest. > Compete for recognition, cash, and the chance to get your game > on Steam. $5K grand prize plus 10 genre and skill prizes. > Submit your demo by 6/6/13. http://p.sf.net/sfu/intel_levelupd2d > _______________________________________________ > PyMOL-users mailing list (PyM...@li...) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pym...@li... |