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12 Nov
2010
12 Nov
'10
2:19 p.m.
Hi, I was wondering what the default values for restraints in reel/elbow represent in terms of 'tightness' for lack of a better word. I am trying to tighten up the geometry of a badly behaving ligand and want to avoid over tightening. What is the consensus out there what kind of ESDs represent a 'loose' 'medium' and 'tight' restraint for bond, angle, dihedral, planar and chiral restraints. Thanks Carsten