VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Sun Oct 19 2008 - 13:26:42 CDT

On Sun, 19 Oct 2008, Tamara Rogers wrote:

TR> Hello VMD community:

hello tamara,

TR> Does any one have a script for displaying double/triple bonds in
TR> structures? I have a mol2/bgf file with fields for the bond order
TR> and would like to have these displayed.

currently only the the "Bonds" representation can visualize this
directly and draws additional cylinders, if the corresponding molfile
plugin can parse the bond order successfully.

other than that, you'd have to use VMD's graphics primitives, which
could turn out to be quite tedious in this case, particularly for
trajectories.

cheers,
    axel.

TR>
TR> Thanks,
TR> Tamara
TR>
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.