Hi Tarsis,

cpptraj would be able to calculate bond length, angle, and torsion angles easily.

The key words are following:

bond length -- "distance"

bond angle -- "angle"

torsion angle -- "dihedral"



Xiaocong Wang
Complex Carbohydrate Research Center
The University of Georgia
315 Riverbend Road,
Athens, GA, 30602
Tel: (706) 254-7958
E-mail: [log in to unmask]

From: Users of GLYCAM & GLYCAM-Web <[log in to unmask]> on behalf of Tarsis Gesteira <[log in to unmask]>
Sent: Thursday, February 1, 2018 5:43 PM
To: [log in to unmask]
Subject: High-throughput analysis of oligosaccharides using cpptraj

I would like to ask if anyone knows or have cpptraj or ptraj scripts that would facilitate high-throughput analysis of oligosaccharides trajectories as the ones found at CAT (torsion angles, conformational maps, rotation profiles, etc).