diff --git a/modules/io/doc/profile.rst b/modules/io/doc/profile.rst index 9349b7c1c12e9e1eb695797273fbc726a3945e07..82edfa484c1c25223b0c0595dad77da93c7ddab2 100644 --- a/modules/io/doc/profile.rst +++ b/modules/io/doc/profile.rst @@ -55,7 +55,7 @@ SLOPPY: IOProfile(dialect='PDB', strict_hydrogens=False, quack_mode=True, fault_tolerant=True, join_spread_atom_records=False, - no_hetatms=False, bond_feasibility_check=False) + no_hetatms=False, bond_feasibility_check=True) CHARMM: @@ -66,7 +66,7 @@ CHARMM: IOProfile(dialect='CHARMM', strict_hydrogens=False, quack_mode=True, fault_tolerant=True, join_spread_atom_records=True, - no_hetatms=False, bond_feasibility_check=False) + no_hetatms=False, bond_feasibility_check=True) The IOProfile Class diff --git a/modules/io/pymod/__init__.py b/modules/io/pymod/__init__.py index e9e597d726f5d921fb6938f12a13a221610b16b8..abe1dcfdb9215f3a8264c762c0715ea836c4489e 100644 --- a/modules/io/pymod/__init__.py +++ b/modules/io/pymod/__init__.py @@ -47,9 +47,11 @@ if not profiles: profiles['STRICT']=IOProfile(dialect='PDB', fault_tolerant=False, strict_hydrogens=False, quack_mode=False) profiles['SLOPPY']=IOProfile(dialect='PDB', fault_tolerant=True, - strict_hydrogens=False, quack_mode=True) + strict_hydrogens=False, quack_mode=True, + bond_feasibility_check=True) profiles['CHARMM']=IOProfile(dialect='CHARMM', fault_tolerant=True, - strict_hydrogens=False, quack_mode=False) + strict_hydrogens=False, quack_mode=False, + bond_feasibility_check=True) profiles['DEFAULT']='STRICT' def _override(val1, val2):