[AMBER] Automated capping of missing loops?

From: Brian Radak <brian.radak.gmail.com>
Date: Thu, 14 Oct 2021 16:54:34 -0400

Is there a script in AmberTools that automates insertion of capping groups
(e.g., ACE and NME) along with TER characters when prepping a PDB for
tleap, etc.? I was kind of shocked when the manual suggested doing this by
hand as the obvious way. Would this be an attractive feature in pdb4amber
or are there simply enough third party preparation tools available on an
academic license?

AMBER mailing list
Received on Thu Oct 14 2021 - 14:00:03 PDT
Custom Search