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26 Mar
2010
26 Mar
'10
9:07 p.m.
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?