ADL: Clustering method in Autodock tools

James Starlight jmsstarlight at gmail.com
Tue Oct 6 09:06:22 PDT 2020


Hello there,

I would like to test clustering method implemented in AUTODOCK tools
(normally available in GUI Analysis -> Clustering ) for the set of my
DLG filles in order to understand what clustering tolerance could be
better for different proteins in my test repertoire. From Autodock
graphical menu I have seen that the script what execute the job should
be
AD41analyse_makeClustering.py
Could you tell me how it would be possible to accept the py file of
the script (without ADT GUI) for my scripting purposes (in the similar
manner like I use prepar_ligand.py etc) ?
Thank you very much for your help!
Kind regards.




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