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AutoDockTools (Prepare subset) for Py3k

Subset of AutoDockTools v1.5.7, tailored just to run:

  • prepare_receptor4.py
  • prepare_ligand4.py

This was ported by running 2to3 and then manually fixing incompatibilities, such as:

  • Python 2.7's string module wrapper (admire the hackiness in _py2k_string.py)
  • Inconsistent indentation (spaces vs tabs) - might have introduced one bug or two...
  • Raised "string exceptions"
  • map(None, [...]) -> zip_longest([...])

Disclaimer

This has not been tested thoroughly at all. Results are not guaranteed to be the same as in the original distribution.

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Python 3 fork for the preparation scripts contained in AutoDockTools

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