ADL: Arg protonation states & Setting Flexible Residue in AutoDock4/ADT

achsan achsanuddin at gmail.com
Fri Apr 10 19:52:51 PDT 2009


Hi,
1. can anyone tell me how to set the protonation state of Arg? In the FAQ of AutoDock4 with AutoDockTools it is mentioned about Arginine positive charge but how do we set it?
2. everytime I tried to set torsions in the selected residue in AutoDockTools, an error message: "flexList = filter(lambda x: x. torscount! = 0, flex_residues)" and "AttributeError: Residue instance has no attribute 'torscount' " appears. How do I fix this problem?
tq.  
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