VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Dec 18 2020 - 11:12:19 CST

Hi,
  I scanned the code a couple of nights ago. Most of the code doesn't
seem to have an prohibition against different chains, but there's a
particular loop that does seem to cull chains if some counts are unequal.
I didn't write this plugin and don't have time to completely reverse engineer
what's going on in the loop there, but if you have time I'd suggest
having a look. It may be something somewhat more detailed that's inhibiting
you from getting the result you're hoping for since there's no commentary
about this in the documentation.

Best regards,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Dec 16, 2020 at 12:32:10PM -0800, Tiglath Moradkhan wrote:
> Hi
> I'm trying to locate salt bridge interactions between chains but the salt
> bridge plugin only locates intramolecular salt bridges. Can the plugin
> find intermolecular salt bridges?
> Thanks
> Tiglath 

-- 
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/