VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Feb 07 2008 - 22:37:45 CST
- Next message: kinshuk_at_chem.iitb.ac.in: "installation problem vmd 1.8.6 on fedora 3"
- Previous message: Axel Kohlmeyer: "Re: heuristic bond computation"
- In reply to: Tony Sheh: "heuristic bond computation"
- Next in thread: Olaf Lenz: "Re: heuristic bond computation"
- Reply: Olaf Lenz: "Re: heuristic bond computation"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Tony,
If you don't want any bonds to be calculated by the distance-based
bond search, you can load your molecule files from the command line,
adding the option "autobonds off" to the end of the command, which will
prevent any automatic bond determination from being done. This will leave
it up to you to provide connectivity information either by loading
additional files, manually specifying bonds interactively with the mouse,
or by doing bond assignment via scripts.
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Thu, Feb 07, 2008 at 10:58:15PM -0500, Tony Sheh wrote:
> When a molecule is loaded, a bond is "computed" between each atom. Is
> there a way to turn this computation off, but still be able to specify
> connectivity?
>
> Cheers,
> Tony
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
- Next message: kinshuk_at_chem.iitb.ac.in: "installation problem vmd 1.8.6 on fedora 3"
- Previous message: Axel Kohlmeyer: "Re: heuristic bond computation"
- In reply to: Tony Sheh: "heuristic bond computation"
- Next in thread: Olaf Lenz: "Re: heuristic bond computation"
- Reply: Olaf Lenz: "Re: heuristic bond computation"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]