VMD-L Mailing List

From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Sat Feb 13 2010 - 20:14:34 CST

try this: (catdcd is required, which you can download UIUC web site):
https://bmiwiki.cchmc.org/index.php/Tutorial_on_VMD_scripting#vmd_select.tcl

On 2/13/10, Marc Charendoff <mcharend_at_sbcglobal.net> wrote:
> Hello,
>
> I am looking to create a script (tcl? Python?) whereby I can retrieve
> and store coordinates of a few selected atoms of a protein so that I might
> perform various geometric calculations through an entire trajectory. Is
> there a specific script I might be able to use as a template? Specifically,
> I am looking at how to pick an atom and get its x,y,z coordinates as a
> starting point. VMD uses the QUERY radio button under the mouse selection to
> get this exact information. The code snippet for this feature seems an ideal
> place to start. Guidance appreciated.
>
> Regards, Marc 

-- 
Thanks,
Roman Petrenko