Settable PDB MOLECULE Properties

supported values of the residueacidbasebehaviour parameter

value	definition
ESLC_INFER_RESIDUE_ACIDBASE:	acidbase state inferred from protonation state in pdb file
ESLC_USE_ACIDBASE:	protonation state set based on default set in eslc_pdb_setdefaultacidbasetype

supported values of translate_iupac_names flag

value	definition
ESLC_PDB_TRANSLATE_IUPAC_HYDROGEN_NAMES:	translate IUPAC names into TAFF hydrogen names
ESLC_PDB_NOTRANSLATE_IUPAC_HYDROGEN_NAMES:	do not translate IUPAC hydrogen names into TAFF names.

supported values of missing atoms behaviour

value	definition
ESLC_ABORT_ON_MISSING_HVY_ATOM:	exit with error when a heavy atom is missing from a residue
ESLC_MUTATE_TO_ALA_ON_MISSING_HVY_ATOM:	mutate residue to alanine when a heavy atom is missing

supported values of missing_other_hydrogens_on_mutate_behaviour

value	definition
ESLC_ABORT_ON_MISSING_OTHER_HYDROGEN:	exit with error when one or more beta methyl hydrgens are missing
ESLC_CONTINUE_ON_MISSING_OTHER_HYDROGEN:	ignore missing beta methyl hydrogens

supported values of default_termination_type

value	definition
ESLC_PDB_CHARGED_TERMINI:	charged N and C termini are assigned by default
ESLC_PDB_NEUTRAL_TERMINI:	neutral N and C termini are assigned by default

supported values of unknown_element_disposition

value	definition
ESLC_PDB_SET_UNKNOWN_ELEMENT_TO_DUMMY:	set element type for unknown element to Du which corresponds to dummy atom
ESLC_ABORT_ON_UNKNOWN_ELEMENT:	exit with error when unknown element is encountered

supported values of the topology_type parameter

value	definition
ESLC_PDB_PROTEIN_TOPOLOGY:	file contains topologies for amino acid residues
ESLC_PDB_NUCLEOBASE_TOPOLOGY:	file contains topologies for nucleic acid residues
ESLC_PDB_CARBOHYDRATE_TOPOLOGY:	file contains topologies for carbohydrate residues
ESLC_PDB_ESSENTIAL_TOPOLOGY:	file contains topologies for amino acid, carbohydrate and nucleic acid residues.

Note: To avoid conflicts arising from multiple topology definitions for a given residue type, only one topology file of each topology_type may be loaded into an eslc_pdb_control_panel structure. If a file with the topology_type set to ESLC_PDB_ESSENTIAL_TOPOLOGY has been loaded, no additional files may be loaded since the file is assumed to contain topologies for all three classes of residues.