Molecular Docking Server

Ligand C-C rotation
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Author:  vinodkulkarni [ Fri May 10, 2013 6:59 pm ]
Post subject:  Ligand C-C rotation

Is the rotation across a C-C bond of the ligand, during the docking calculation in increments of fixed degrees across the plane of rotation ? If so, what is the value, else what is the method?

Author:  hazaie [ Thu May 16, 2013 3:46 pm ]
Post subject:  Re: Ligand C-C rotation

C-C bonds are flexible by default; you can constrain them in the modify tab of the ligand page.

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