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How to keep a ligand rigid during docking?
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docking
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Andrew Orry
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Apr 4, 2017, 2:34:28 PM
4/4/17
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Question:
I am docking a ligand using the Docking menu - I would like to turn off ligand flexibility and keep the ligand rigid. How can I do this?
Answer:
To keep the ligand rigid you will need to use the command line and use dockScan
http://www.molsoft.com/man/ligand-fit.html#dockScan
and
use the argument -r for Rigid docking
.
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