How to do docking with enatiomers

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How to do docking with enatiomers

Postby bharatbhusans » Wed Aug 21, 2013 1:10 pm

How to do docking with enatiomers.
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Re: How to do docking with enatiomers

Postby sargis » Wed Aug 21, 2013 9:44 pm

I've recently committed a change that would allow making different pdbqt file for enatiomers by adding _1, _2, _3, etc, to the name of the ligand: http://sourceforge.net/p/pyrx/code/134/. This is available in PyRx 0.9 for Windows.

PyRx has no option for making enatiomers, but if you have sdf for enatiomers, this would allow docking with enatiomers.
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