Re: [modeller_usage] special restrains for aromatic packing interactions
To: Modeller Caretaker <>
Subject: Re: [modeller_usage] special restrains for aromatic packing interactions
From: Thomas Evangelidis <>
Date: Sat, 27 Mar 2010 04:07:52 +0000
Cc:
Thanks, I did what you said and the ligand fits beautifully into the cavity. Just out of curiosity, does automodel.nonstd_restraints() apply only to BLK residues? I tried to override this function to build models with ATP but Modeller always seems to define its own restraints. Do I always have to do that trick with moving the ligand far from the protein, as described in the advanced tutorial?