How to launch docking and screening from python?

[Andrew Orry]

Q. How to launch docking and screening from python?

A.

You can use

os.system(...) in python to launch any external program including ICM

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import os

os.system("$ICMHOME/icm64 _dockScan mydock input=input.sdf")

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For the example above we use  _dockScan for docking and screening here is a link to the documentation.