VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Nov 01 2002 - 21:18:42 CST

Hi,
  At present there's not really a way to make atom selections
graphically, since VMD is intended to work well with large biomolecules,
it has a very powerful textual atom selection language.
For small biomolecules, a picking based selection mechanism works ok,
but for large ones a text based selection mechanism is much more efficient
to work with. I can see why one might wish to do it with picking, we'll
have to see if there's an easy way to do something like this. You could
certainly write a Tcl script to do something like this. Take a look
at the "pickbonds" script in the VMD script library. I bet you can
modify that script so that rather than creating/deleting bonds, you could
instead use it to build atom selections and representations.

  John Stone
  vmd_at_ks.uiuc.edu
  

On Fri, Nov 01, 2002 at 01:24:13PM +0800, #WONG CHEE HOW# wrote:
> Is it possible to select an atom/molecule interactively using a mouse and then change its color in VMD? I have tried a number of ways, and it can't seem to work. Perhaps it is good to implement this function into VMD1.8 so that users can 'highlight' certain atoms/molecules.
>
> CH WONG 

-- 
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