1 files changed, 0 insertions, 34 deletions
diff --git a/fix_matchedatoms.patch b/fix_matchedatoms.patch
deleted file mode 100644
index ce1b64135cf0..000000000000
--- a/fix_matchedatoms.patch
+++ /dev/null
@@ -1,34 +0,0 @@
---- pdb2pqr/main.py	2020-08-25 20:53:35.000000000 +0300
-+++ pdb2pqr/main.py	2020-08-25 21:15:39.017396736 +0300
-@@ -470,17 +470,16 @@
-             hydrogen_routines.optimize_hydrogens()
-         hydrogen_routines.cleanup()
- 
-     _LOGGER.info("Applying force field to biomolecule states.")
-     protein.set_states()
--    hitlist, misslist = protein.apply_force_field(forcefield_)
-+    matched_atoms, missing_atoms = protein.apply_force_field(forcefield_)
- 
-     if args.ligand is not None:
-         _LOGGER.info("Processing ligand.")
-         _LOGGER.warning("Using ZAP9 forcefield for ligand radii.")
-         ligand.assign_parameters()
--        missing_atoms = []
-         lig_atoms = []
-         for residue in protein.residues:
-             tot_charge = 0
-             for pdb_atom in residue.atoms:
-                 # Only check residues with HETATM
-@@ -497,11 +496,11 @@
-                         "Can't find HETATM {r.name} {r.res_seq} {a.name} "
-                         "in MOL2 file").format(r=residue, a=pdb_atom)
-                     _LOGGER.warning(err)
-                     missing_atoms.append(pdb_atom)
- 
--    matched_atoms = hitlist + lig_atoms
-+        matched_atoms += lig_atoms
- 
-     for residue in protein.residues:
-         if not isclose(
-                 residue.charge, int(residue.charge), abs_tol=CHARGE_ERROR):
-             err = (