VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Nov 20 2013 - 19:27:21 CST
I'm out of town at SC2013 until tomorrow night, but once I return I can
take a look at this and do tests. If the patch does well in testing,
then I could definitely apply it and make new test builds with it.
I have a number of small updates to commit when I get home so I can do
this with the rest of them.
On Thu, Nov 21, 2013 at 01:00:44AM +0100, FX wrote:
> > In case you manage to build vmd on your Mac and want to write your on patch
> Well, I think replacing the lines (in MeasureSymmetry.C) with:
> > if (sel->selected>maxnatoms && vmd_random()>maxnatoms/sel->selected)
> by this:
> > if (sel->selected>maxnatoms && vmd_random() % sel->selected < maxnatoms)
> should work, but I can?t test it for now. If you (or John or someone else) can put that into a build, and check on my test molecule (https://dl.dropboxusercontent.com/u/52398724/toto.xyz) that it recognizes the D2h symmetry correctly.
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/