27 May
2008
27 May
'08
7:53 a.m.
Hi all! My question is about Modeller restraints. Have you ever used of special_restraints or add_rsr to add your own restraints? Or to build conserved part of your target protein (such as ligand binding site or binding state of ligand)?Did Modeller build a model without any violation of your restraints? My target protein has a conserved ligand binding site.But even when I give it the restraints ,it doesn't work exactly.(e.g. I gave it distance restraints with mean=2.3 Åand std=0.03 Åand one of pair_atom were in 3.7 Å from each other) Is it common?Even about conserved parts of structure? Thanks Maryam