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improve help msg for mk_prepare_receptor --write flags
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diogomart committed Oct 12, 2024
1 parent de15f29 commit 9033088
Showing 1 changed file with 10 additions and 3 deletions.
13 changes: 10 additions & 3 deletions scripts/mk_prepare_receptor.py
Original file line number Diff line number Diff line change
Expand Up @@ -935,9 +935,16 @@ def warn_flexres_outside_box(chorizo, box_center, box_size):
print(line % (fn, desc))
else:
print()
print("You have successfully prepared the receptor, but no files were written.")
print("Likely, you want to use some of the --write options, for example:")
print(" -p/--write_pdbqt, -j/--write_json, -g/--write_gpf, -v/--write_vina_box")
print()
print("Receptor was prepared, but no files were written.")
print("")
print("Consider the following --write options:")
print(" -p/--write_pdbqt")
print(" -j/--write_json")
print(" -g/--write_gpf")
print(" -v/--write_vina_box")
print("")
print("Use -o/--output_basename, or set a filename after each --write flag")
print("")
print("Recommended for AutoDock-GPU:")
print(" -o my_receptor -p -j -g")
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