Knowledge Base

Article ID: 1627 - Last Modified: November 7, 2011

Why don't hydrogen bonds for poses selected via Pose Filter always show up in Maestro?

The Pose Filter script uses the same H-bond criteria as Glide, which are more generous than the Maestro defaults. In particular, the donor angle must be greater than 90 degrees, and the acceptor angle must be greater than 60 degrees; the Maestro defaults are 120 degrees and 90 degrees, respectively. You can adjust the Maestro H-bond criteria by going to Tools → Measurements → H-Bonds. There are similar fields on the Pose Filter panel (corresponding to the command-line options -hbond_donor_angle and -hbond_acceptor_angle).

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles