Re: [Apbs-users] charge density plot
Biomolecular electrostatics software
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From: L. M. Espinoza-F. <me...@dd...> - 2006-03-20 18:17:16
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Thanks for the suggestions. However, I really don't know from where to start... Could you give me some guidance, please? Again, thanks. Michel 2006/3/18, Nathan Baker <nat...@wu...>: > The best way to do that is to modify the code in tools/mesh/value.c or > tools/python/vgrid to extract values from a charge density OpenDX map. > Of these two options, the Python code in tools/python/vgrid is > probably the easiest... > > Thanks, > > Nathan > > On 3/16/06, L. Michel Espinoza-Fonseca <me...@dd...> wrote: > > Dear all, > > > > I'm computing the charge density around a protein using APBS. I got a > > very homogeneous charge surfaces, which is what I want to demonstrate. > > However, I would like to know if it is possible to get a x-y plot of > > density vs distance (let's say, starting from a cutoff of 3.5-4 A), > > which will make my analysis get closer to more quantitative approach. > > > > Thanks a lot! > > Michel > > > > > > ------------------------------------------------------- > > This SF.Net email is sponsored by xPML, a groundbreaking scripting lang= uage > > that extends applications into web and mobile media. Attend the live we= bcast > > and join the prime developer group breaking into this new coding territ= ory! > > http://sel.as-us.falkag.net/sel?cmd____________________________________= ___________ > > apbs-users mailing list > > apb...@li... > > https://lists.sourceforge.net/lists/listinfo/apbs-users > > > > > > > -- > Assistant Professor, Dept. of Biochemistry and Molecular Biophysics > Center for Computational Biology, Washington University in St. Louis > Web: http://cholla.wustl.edu/ > |