VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Sep 28 2007 - 16:17:09 CDT

On Fri, 28 Sep 2007, Bob Johnson wrote:

hi bob,

RJ> Hello everyone,
RJ> I would like to store the values of multiple time varying variables in the user
RJ> field. For example, I would like to store the RMSD values between each frame
RJ> and two (or maybe more) reference structures. Ideally, it would be great if the
RJ> user field per frame were an array that could store multiple values and be
RJ> accessed via something like: $sel get user(i) Here i is the index of each value
RJ> stored in the array. Is there a way to do this?

at the moment no. however you can work around this by storing your
information into a 2d-arrays (e.g. $data($step,$index)) and then
use $sel list to get a list of indices. if you want to use the fields
for visualization (colorization) you could use the technique outlined
at:
http://www.theochem.rub.de/~axel.kohlmeyer/cpmd-vmd/part3.html#chap5_sect4

cheers,
   axel.

RJ> Thanks,
RJ> Bob
RJ> 

-- 
=======================================================================
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.