Commit 8b8dad9f authored by Jacob Durrant's avatar Jacob Durrant

Added warning about Open Babel.

parent 6183a0cb
......@@ -60,7 +60,10 @@ parameter.
Note: Only PDBQT files of the receptor and ligand are accepted. Scripts to
convert from PDB to PDBQT are included in the [AutoDockTools
package](http://autodock.scripps.edu/resources/adt).
package](http://autodock.scripps.edu/resources/adt). **Be sure to use
AutoDockTools to convert from PDB to PDBQT, not Open Babel.** These two
programs do not assign the same partial atomic charges, and NNScore was
trained using AutoDockTools-assigned charges.
Examples:
......
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