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