VMD-L Mailing List
From: George Patargias (gpat_at_bioacademy.gr)
Date: Wed Jan 21 2015 - 11:38:00 CST
Thanks for this.
I run the command topo getdihedrallist on a pdb containing only backbone
atoms. Apart from the phi/psi, the omega angles are also reported.
Is it possible to include the topo deldihedral id1 id2 id3 id4
command in a Tcl script so I can delete all the omega dihedrals from the
> On Wed, Dec 10, 2014 at 9:12 AM, George Patargias <gpat_at_bioacademy.gr>
>> Is there any way to select only the phi and psi dihedrals with
>> The commands:
>> topo guessdihedrals
>> topo getdihedrallist
>> select all the dihedrals.
> but you should be able to restrict getdihedrallist with a selection to
> the backbone and then postprocess that list further based on the usual
> naming conventions for backbone atom types/names.
>> Many thanks.
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
Dr. George Patargias
Postdoctoral Research Fellow
Biomedical Research Foundation
Academy of Athens
4, Soranou Ephessiou