Hi all, To clearly state what Marius is intimating: we can calculate any property of atoms and color the surface based on that property. His example uses ELF. We created the surface from one map, and colored it from another. While his application is very specific, PyMOL will allow you to color based on any function for which you can calculate real numbers. The example I posted on the wiki was a distance from one central point.
Cheers, -- Jason On Sun, Jul 4, 2010 at 6:17 PM, Marius Retegan <marius.s.rete...@gmail.com> wrote: > Hello > With help from Jason I've managed to solve my problem. As a result I've > updated the wiki page for the ramp_new command to include my particular case > (see bottom of the page) > http://pymolwiki.org/index.php/Ramp_New > Marius > > On Mon, Jun 28, 2010 at 10:32 PM, Marius Retegan > <marius.s.rete...@gmail.com> wrote: >> >> Hello, >> Take the following scenario. I have two cube files, the first one holds >> some values of a function (electron localization function), >> while in the second cube for each value in the first cube file i can have >> either one of the numbers from 0 to 6. >> After loading the first cube file in Pymol, I create an isosurface of a >> given value for the contour level, lets say 0.8 a.u. >> Next I want to color this isosurface based on the values in the second >> cube file, e.g. all points that have a value of 3 in the second cube >> should be colored red etc. >> Any ideas on how to accomplish this? If needed, I could provide the two >> cube files for a simple test case >> Thank you >> Marius >> > > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by Sprint > What will you do first with EVO, the first 4G phone? > Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) jason.vertr...@schrodinger.com (o) +1 (603) 374-7120 ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
