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mol2genparams.py script dependencies

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mol2genparams.py script dependencies
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Hi

    what are the dependencies of mol2genparams.py scripts? when I am trying to run the scripts, its saying no module name Type or BasicClasses and so on.

I already have numba, scipy and numpy installed.

 

Thank you

Dhiraj

Category: 
Docking
Post Situation: 
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Wed, 2022-06-08 16:46
dhirajks
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As an alternative, I have an alternative module for topology file generation (Pip: rdkit-to-params, it's also on a webpage: https://params.mutanalyst.com/), which can do general potentials —but I have not tested the latter as I was waiting for the generalised potential scorefunction to be more stable beforehand... But might be a valid plan B.

Thu, 2022-06-09 14:41
matteoferla