VMD-L Mailing List

From: Ahmet Bakan (abakan_at_ku.edu.tr)
Date: Sun May 30 2004 - 19:41:49 CDT

Dear All,

 

I have written a short procedure which takes four indices as input and gives
out dihedral angle.

For phi angle I enter corresponding indices C'-N-Ca-C'

For psi angles I enter corresponding N-Ca-C'-N indices

I have checked the proc on decalanine and did not get the right phi or psi
values for any residue.

What may have been wrong?

I appreciate any suggestions,

Ahmet

==========ABC==========

Ahmet Bakan

Chemistry, Junior

Koc University

abakan_at_ku.edu.tr

ICQ #86167698

http://home.ku.edu.tr/~abakan

 

  _____

From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of
Ahmet Bakan
Sent: Wednesday, May 26, 2004 9:53 PM
To: VMD-L
Subject: vmd-l: Torsional Angles

 

Hi All,

 

I want to retrieve phi and psi angles from this single residue along a
trajectory. What I get is 0 value using the following lines:

set ALL [atomselect top "all"]

$ALL get {psi}

$ALL get {phi}

 

What may be the problem?

 

Thanks,

Ahmet

 

==========ABC==========

Ahmet Bakan

Chemistry, Junior

Koc University

abakan_at_ku.edu.tr

ICQ #86167698

http://home.ku.edu.tr/~abakan

 


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