VMD-L Mailing List

From: FX (fxcoudert_at_gmail.com)
Date: Wed Nov 20 2013 - 18:00:44 CST

> 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.

Cheers,
FX