VMD-L Mailing List

From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Wed Mar 25 2015 - 11:22:30 CDT

Hi Mike,
You need to cook up a selection that only includes the in between bits. How about "sidechain and ((exwithin 3.5 of chain A) or (exwithin 3.5 of chain B))"? This has three parts. One to pick up only the sidechains, and then two more that pick stuff near the chains that aren't the chains themselves. There are other alternatives, and perhaps others will chime in.
-Josh

On Mar 25, 2015 9:30 AM, "Dolan, Michael A. (NIH/NIAID) [C]" <dolanmi@niaid.nih.gov> wrote:

Hello,

 

I’ve seen some posts addressing this question before, but has there been any changes in the code to address the possibility of being able to show only those H-bonds occurring between two chains or segments?

 

Something like the following selection will show H-bonds between chain A and B, but also within chain A and B:

 

chain A B

 

I guess that there is no Boolean-like way to do this. Perhaps the addition of a ‘between’ option….

 

Thanks!

Mike