Subject: Ligand centroid and ligand torsional angles in AutoDock

From: Emanuel Björne <[email-masked]>
Date: Thu, 14 Nov 2002 08:35:36 +0100

Hi!

How is the centroid of a ligand defined in AutoDock3.0? And what torsional angles are possible for the ligand to have? Staggered and eclipsed or are they totally free to set at any angle between -180 and 180 degrees?

Thanks.

Emanuel