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AmberPrep / amberprep /structure_preparation.py

Commit History

Fix: Create combined ligand file (4_ligands_corrected.pdb) for separate ligand download

c8c64e5

hemantn commited on 27 days ago

Fix: Require chain selection for structure preparation (no default to all chains)

bf5aaae

hemantn commited on 27 days ago

Rename project from AmberFlow to AmberPrep

fa25632

hemantn commited on 27 days ago