VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Jan 13 2009 - 09:30:56 CST

Hi Max,
In fact it does. You can query bond orders with $sel getbondorders,
alter them with $sel setbondorders, and visualize them using the Bonds
representation. However, please note that many file formats (for
example, pdbs) *don't* carry information about bond orders, nor do the
structure files for most MD programs. Any file format supported by VMD
which does include bond order information should work properly.
Best,
Peter

Max wrote:
> Hi
>
> Does VMD still have no information about bond types?
>
> Thanks
>
> Max