add help print to mk_prepare_receptor #193
Merged
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Adds help message for users who are used to
-o
flag in mk_prepare_receptor in older versions. Before v0.6.0,-o
sets the PDBQT output filename, but in v0.6.0, it sets a default output basename that--write
options rely on.If someone runs
-o output.pdbqt -j
, the-j
flag triggers writing a file named "output.pdbqt.json", but no PDBQT files are written. The added help message, shown below, is printed if the output basename ends with ".pdbqt" and--write_pdbqt
was not used.