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Fixed Python interface versioning to be compliant with PEP 440.
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Hi, I want to ask you why the bond energy changes when the same compound is re-docked?
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@boufissiou Hi, the binding energies Vina returns are obtained through a non-deterministic search algorithm. Because of this, best energies can fluctuate - particularly if the search space is very large and has many local energetic minima. Here is a bit more information: https://vina.scripps.edu/manual/#faq
P.S. A commit may not be the best place to ask questions - please use the "Issues" tab ;-)