VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 21 2015 - 14:49:36 CDT
If you're talking about mol2 bond order fields, at present
VMD doesn't allow you to color by bond order, nor to select by
bond order. VMD presently only uses the bond order information to
affect the graphical representation of the bonds, but not other properties.
It would be relatively easy to add a feature for coloring by bond order
if people feel that would be useful. VMD historically didn't do much with
bond orders since many molecular file formats don't specify this information.
On Wed, Oct 21, 2015 at 03:53:26PM +0000, Zhang, Tao wrote:
> HI, I wish to draw different bonds with different colors based on the bond
> type. For example, bonds with bond type 1 are blue, bonds with bond type 2
> are yellow and bonds with bond type 3 are green. I want to emphasize that
> the color is based on bond type, NOT atom type! Is there any way to
> accomplish this? I am using mol2 file as input file and I can set bond
> type in mol2 format files.
-- 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/