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Re: [modeller_usage] special restrains for aromatic packing interactions
- To: Modeller Caretaker <modeller-care@ucsf.edu>
- Subject: Re: [modeller_usage] special restrains for aromatic packing interactions
- From: Thomas Evangelidis <tevang3 AT gmail.com>
- Date: Sat, 27 Mar 2010 04:07:52 +0000
- Cc: modeller_usage@listsrv.ucsf.edu
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?