VMD-L Mailing List

From: Rebeca García Fandiño (regafan_at_hotmail.com)
Date: Tue Feb 19 2013 - 08:45:30 CST

Hello,
I am trying to rotate a part of an assembled molecule, consisting on several residues, so I want to rotate only one of these residues, for example, residue 10. I have tried different combinations:

set sel [atomselect top "resid 10"]
$sel rotate z by 45

$sel [rotate z by 45]

$sel rotate [z by 45]

But I always get errors.

By the other hand, when I have tried to rotate the whole molecule

set sel [atomselect top "resid 10"]
rotate z by 45

It works, but when I try to write the coordinates using:

$sel writepdb file.pdb

they are identical to the first ones!

Please, could anyone help me to rotate a selection in a molecule and to save its rotated coordinates?

Thanks a lot for your help in advance.

Best wishes,

Rebeca.

Dr Rebeca García
Universidad de Santiago de Compostela
Spain