Re: [apbs-users] Calculate potential only on surface
Biomolecular electrostatics software
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From: Sabine R. <sab...@ki...> - 2012-10-09 15:17:44
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Hi Nathan, yes, that looks like exactly what I need. But the "tools" folder is not in the precompiled version one can download, is it? In fact, the APBS1.4 version I just downloaded only contains bin, lib and include, not share and tools as mentioned on http://www.poissonboltzmann.org/apbs/user-guide/installation-and-avil. Cheers Sabine On 10/09/2012 04:33 PM, Baker, Nathan wrote: > Hello -- > > There is a "multivalue" program distributed with APBS that will evaluate > the electrostatic potential at a set of points (e.g., the vertices of the > triangles): > http://apbs.git.sourceforge.net/git/gitweb.cgi?p=apbs/apbs;a=tree;f=tools/m > esh;h=7c8280c7819ffdcd2715606b5ddcdff7015a76e7;hb=HEAD > > Will this program provide the functionality you're looking for? > > Thanks, > > > |