VMD-L Mailing List

From: nordgren_at_sas.upenn.edu
Date: Thu Jun 23 2005 - 04:02:50 CDT

Ciao Matteo,

VMD does have a handy way to get this info. Something like this will do the
trick:

set sel [atomselect top "(your atom selection here)"]
set phi [$sel get phi]
set psi [$sel get psi]
puts "PHI is $phi and PSI is $psi"

See the user guide (e.g., "using the atomslect command") for more info.

hope this helps,
Erik

C. Erik Nordgren, Ph.D.
Department of Chemistry
University of Pennsylvania

Quoting matteo.pennestri_at_virgilio.it:

> Does anybody know how to obtain and print out in a file the phi and psi
> angles of my protein by tcl script?
> Thanks a lot......ciao.