VMD-L Mailing List

From: Cosseddu, Salvatore (S.M.Cosseddu_at_warwick.ac.uk)
Date: Thu Mar 31 2011 - 16:59:32 CDT

have you tried

set all [atomselect top all]
$all move [transaxis x 120]

$all writepdb copy.pdb

Then you simply merge the original pdb and the new one

Regards

Salvatore Cosseddu
Centre for Scientific Computing
School of Engineering
University of Warwick
Coventry CV4 7AL
United Kingdom

email: S.M.Cosseddu_at_warwick.ac.uk

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu on behalf of Sujata Sovani
Sent: Thu 31/03/2011 19:18
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: Rotating and saving coordinates of a copy of molecule alongwith original molecule
 
Hi,

I want to rotate a copy of my molecule around the x axis (axis of symmetery) by 120 and then save the new coordinates alongwith the original protein coordinates.

I used this command to rotate the copy
$copy move [trans x by 120]

but I get the following error:

invalid bareword "by"
in expression "by 120 + 0.0";
should be "$by" or "{by}" or "by(...)" or ...

Could anyone let me know whats the right command.

Thanks,
Sujata