diogomart
commented
2 years ago Hello,
The --pH option was removed since version 0.3.0. Updated Vina docs right now: https://github.com/ccsb-scripps/AutoDock-Vina/commit/75f87a4b4fa05ad7f29e47190076bf0615ed1e34
See https://github.com/forlilab/Meeko/issues/11 for more info.
Best regards
Dear Meeko Team,
Meeko is featured in the AutoDockVina documentation (https://autodock-vina.readthedocs.io/_/downloads/en/latest/pdf/) and in their tutorial, utilizes the following code:
mk_prepare_ligand.py -i 1iep_ligand.sdf -o 1iep_ligand.pdbqt --pH 7.4
However, I get an unrecognized arugment error for --ph 7.4
Looking through the github via ctrl+f, I don't see a mention of pH.
Has this argument been replaced with a different argument?
Thank you