VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Jun 29 2011 - 15:24:24 CDT

Hi,
  At present, VMD doesn't compute bond orders automatically.
Bond orders have to be specified by the file format you're loading
(PDB does not) or you would use one of the VMD plugins (e.g. molefacture)
that is capable of guessing/computing bond orders and assign them that way.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Jun 29, 2011 at 12:57:50PM -0400, Joseph Bylund wrote:
> Dear all,
> First is there somewhere an explanation of displaying bond orders in VMD?
> If not: Is there a way to display bond order in vmd when reading PDB
> files? Is this necessarily determined by "CONECT" records or distance
> search? Is there a way to toggle which is used?
> Thanks for any help,
> -Joe 

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