Export pdb rdkitflexres

forlilab / Meeko

Interface for AutoDock, molecule parameterization

https://meeko.readthedocs.io/

GNU Lesser General Public License v2.1

206 stars 49 forks source link

Closed althea-hansel closed 1 week ago

althea-hansel commented 1 week ago

Added method for updating PDB flexres from RDKit molecule object