VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Wed May 19 2004 - 08:45:05 CDT

On Wed, 19 May 2004 15:04:24 +0530 (IST) "Sanjeev B.S." wrote:

> Hello,
> I would like to display a set of residues (in different styles)
> while playing a trajectory. But unlike in the case of scripts available, I
> cannot think of writing a macro wherein I can specify some criteria, as
> the residues are picked with a lot more complicated analysis. Can anyone
> share with me a script to do this, if it has already been done?

hello,

what you describe sounds a lot like the example at:
<http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part4.html#chap6_sect3>

here the selection strings are computed beforehand,
stored in a file, then read into an array and
dynamically changed during the display of the trajectory.

axel.

>
> Thanking in advance,
> With good day wishes,
> -Sanjeev
> 

--
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Axel Kohlmeyer      e-mail:  axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
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If you make something idiot-proof, the universe creates a better idiot.