forlilab / Meeko

Interfacing RDKit and AutoDock
GNU Lesser General Public License v2.1
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Meeko -m Unrecognized for Preparing Macrocycles #44

Closed selmifiqhi closed 1 year ago

selmifiqhi commented 1 year ago

Hello, I used meeko 0.4.0 to prepared macrocycles compound and run this code.

mk_prepare_ligand.py -i PPD_A.sdf -m -o PPD.pdbqt

But the meeko give error message like this:

mk_prepare_ligand.py: error: unrecognized arguments: -m

Is there any change in the argument? Thank you.

diogomart commented 1 year ago

Yes, we dropped the -m option, now macrocycles are flexible by default.