The Molecular Graphics Laboratory Forum as a standalone scoring function
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Author:  Romain [ Wed Sep 25, 2013 12:41 pm ]
Post subject: as a standalone scoring function

Hi !
This is an old thread,
but I just hit the same error as well.
Does anyone know what I could be doing wrong, or places to look because there are no answers to this topic ?

Patrick.kingsby wrote:
While trying to run, we encountered an error with the following message:

Traceback (most recent call last):
File "", line 160, in <module>
File "/home/danan/PyAutoDock/", line 259, in add_entities
adapter = Adapters[str(entity_set.__class__)](entity_set)
KeyError: "<class 'MolKit.molecule.AtomSet'>"

We have converted the pdb files for the ligand and the protein into pdbqt files using and
Would you please let us know how to fix the problem?

Thank you very much !

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