All STAR file format tags for molecules and molecular parameters. More...

Macros
#define	ENTRY_ID "pdbx_database_status.entry_id"

#define	MOL_ID "struct_asym.id"

#define	CELL_A "cell.length_a"

#define	CELL_B "cell.length_b"

#define	CELL_C "cell.length_c"

#define	CELL_ALPHA "cell.angle_alpha"

#define	CELL_BETA "cell.angle_beta"

#define	CELL_GAMMA "cell.angle_gamma"

#define	ATOM_TYPE "atom_type"

#define	ATOM_TYPE_SYMBOL "atom_type.symbol"

#define	ATOM_TYPE_NUMBER "atom_type.atom_number"

#define	ATOM_TYPE_OXIDATION "atom_type.oxidation_number"

#define	ATOM_TYPE_MASS "atom_type.mass"

#define	ATOM_TYPE_RADIUS_BOND "atom_type.radius_bond"

#define	ATOM_TYPE_RADIUS_VDW "atom_type.radius_contact"

#define	ATOM_TYPE_SCAT_A1 "atom_type.scat_Cromer_Mann_a1"

#define	ATOM_TYPE_SCAT_A2 "atom_type.scat_Cromer_Mann_a2"

#define	ATOM_TYPE_SCAT_A3 "atom_type.scat_Cromer_Mann_a3"

#define	ATOM_TYPE_SCAT_A4 "atom_type.scat_Cromer_Mann_a4"

#define	ATOM_TYPE_SCAT_A5 "atom_type.scat_Cromer_Mann_a5"

#define	ATOM_TYPE_SCAT_B1 "atom_type.scat_Cromer_Mann_b1"

#define	ATOM_TYPE_SCAT_B2 "atom_type.scat_Cromer_Mann_b2"

#define	ATOM_TYPE_SCAT_B3 "atom_type.scat_Cromer_Mann_b3"

#define	ATOM_TYPE_SCAT_B4 "atom_type.scat_Cromer_Mann_b4"

#define	ATOM_TYPE_SCAT_B5 "atom_type.scat_Cromer_Mann_b5"

#define	ATOM_TYPE_SCAT_C "atom_type.scat_Cromer_Mann_c"

#define	ATOM_TYPE_COUNT "atom_type.count"

#define	BOND_RULE_SYMBOL "bond_rule.symbol"

#define	BOND_RULE_BONDS "bond_rule.bonds"

#define	BOND_TYPE_SYMBOL1 "bond_type.symbol1"

#define	BOND_TYPE_SYMBOL2 "bond_type.symbol2"

#define	BOND_TYPE_LENGTH "bond_type.length"

#define	BOND_TYPE_VDWDIST "bond_type.VdW_distance"

#define	ANGLE_TYPE_SYMBOL1 "angle_type.symbol1"

#define	ANGLE_TYPE_SYMBOL2 "angle_type.symbol2"

#define	ANGLE_TYPE_SYMBOL3 "angle_type.symbol3"

#define	ANGLE_TYPE_ANGLE "angle_type.angle"

#define	ATOM_PDB "atom_site.group_PDB"

#define	ATOM_RESNUMBER "atom_site.label_seq_id"

#define	ATOM_RESINSERT "atom_site.pdbx_PDB_ins_code"

#define	ATOM_NUMBER "atom_site.id"

#define	ATOM_SEGMENT "atom_site.auth_asym_id"

#define	ATOM_LABEL "atom_site.group_PDB"

#define	ATOM_SYMBOL "atom_site.type_symbol"

#define	ATOM_TOPTYPE "atom_site.label_atom_id"

#define	ATOM_RESIDUE "atom_site.label_comp_id"

#define	ATOM_CHAIN "atom_site.label_asym_id"

#define	ATOM_ENTITY "atom_site.label_entity_id"

#define	ATOM_X "atom_site.Cartn_x"

#define	ATOM_Y "atom_site.Cartn_y"

#define	ATOM_Z "atom_site.Cartn_z"

#define	ATOM_FRACT_X "atom_site.fract_x"

#define	ATOM_FRACT_Y "atom_site.fract_y"

#define	ATOM_FRACT_Z "atom_site.fract_z"

#define	ATOM_OCCUPANCY "atom_site.occupancy"

#define	ATOM_BFACTOR "atom_site.B_iso_or_equiv"

#define	ATOM_CHARGE "atom_site.charge"

#define	ATOM_FOOTNOTE_ID "atom_site.footnote_id"

#define	HELIX_ID "struct_conf.pdbx_PDB_helix_id"

#define	HELIX_CHAIN "struct_conf.beg_label_asym_id"

#define	HELIX_RESIDUE1 "struct_conf.beg_label_comp_id"

#define	HELIX_RESIDUE2 "struct_conf.end_label_comp_id"

#define	HELIX_RESNUM1 "struct_conf.beg_label_seq_id"

#define	HELIX_RESNUM2 "struct_conf.end_label_seq_id"

#define	SHEET_ID "struct_sheet_range.sheet_id"

#define	SHEET_STRAND_ID "struct_sheet_range.id"

#define	SHEET_CHAIN "struct_sheet_range.beg_label_asym_id"

#define	SHEET_RESIDUE1 "struct_sheet_range.beg_label_comp_id"

#define	SHEET_RESIDUE2 "struct_sheet_range.end_label_comp_id"

#define	SHEET_RESNUM1 "struct_sheet_range.beg_label_seq_id"

#define	SHEET_RESNUM2 "struct_sheet_range.end_label_seq_id"

#define	SHEET_ORDER_ID "struct_sheet_order.sheet_id"

#define	SHEET_ORDER_STRAND_ID "struct_sheet_order.range_id_2"

#define	SHEET_ORDER_SENSE "struct_sheet_order.sense"

#define	RESPROP_CODON "residue_property.codon"

#define	RESPROP_CODE1 "residue_property.code1"

#define	RESPROP_CODE3 "residue_property.code3"

#define	RESPROP_MASS "residue_property.mass"

#define	RESPROP_VOLUME "residue_property.volume"

#define	RESPROP_EXTENSION "residue_property.extension"

#define	RESPROP_EXTSTDEV "residue_property.extstdev"

#define	RESPROP_HYDROPHOBICITY "residue_property.hydrophobicity"

#define	RESPROP_CHARGE "residue_property.charge"

#define	RESPROP_H "residue_property.H"

#define	RESPROP_C "residue_property.C"

#define	RESPROP_N "residue_property.N"

#define	RESPROP_O "residue_property.O"

#define	RESPROP_S "residue_property.S"

#define	RESMATRIX1_CODE1 "residue1_matrix.code1"

#define	RESMATRIX2_CODE1 "residue2_matrix.code1"

#define	RESMATRIX_SUBSTITUTION "residue_matrix.substitution"

#define	RESCOIL_CODE1 "residue_coil.code1"

#define	RESCOIL_POS_A "residue_coil.position_a"

#define	RESCOIL_POS_B "residue_coil.position_b"

#define	RESCOIL_POS_C "residue_coil.position_c"

#define	RESCOIL_POS_D "residue_coil.position_d"

#define	RESCOIL_POS_E "residue_coil.position_e"

#define	RESCOIL_POS_F "residue_coil.position_f"

#define	RESCOIL_POS_G "residue_coil.position_g"

#define	MOLECULE_NAME "molecule.name"

#define	MOLECULE_LENGTH "molecule.length"

#define	MOLECULE_SEQUENCE "molecule.sequence"

#define	MOLECULE_FILENAME "molecule.file_name"

#define	MOLECULE_MAP_FILE "molecule.map_file_name"

#define	MOLECULE_MAP_NUMBER "molecule.map_number"

#define	MOLECULE_X "molecule.x"

#define	MOLECULE_Y "molecule.y"

#define	MOLECULE_Z "molecule.z"

#define	MOLECULE_VIEW_X "molecule.view_x"

#define	MOLECULE_VIEW_Y "molecule.view_y"

#define	MOLECULE_VIEW_Z "molecule.view_z"

#define	MOLECULE_VIEW_ANGLE "molecule.view_angle"

#define	MOLECULE_FOM "molecule.fom"

#define	MOLECULE_SELECT "molecule.select"

#define	CHEMICAL_ID "chem_comp.id"

#define	CHEMICAL_NAME "chem_comp.name"

#define	CHEMICAL_PDB "chem_comp.pdbx_type"

#define	CHEMICAL_FOMRULA "chem_comp.formula"

#define	CHEMICAL_WEIGHT "chem_comp.formula_weight"

#define	CHEMICAL_ONE "chem_comp.one_letter_code"

#define	CHEMICAL_THREE "chem_comp.three_letter_code"

#define	CHEMICAL_ATOM_RES "chem_comp_atom.comp_id"

#define	CHEMICAL_ATOM_ID "chem_comp_atom.atom_id"

#define	CHEMICAL_ATOM_ID_ALT "chem_comp_atom.alt_atom_id"

#define	CHEMICAL_ATOM_SYMBOL "chem_comp_atom.type_symbol"

#define	CHEMICAL_ATOM_CHARGE "chem_comp_atom.charge"

#define	CHEMICAL_ATOM_X "chem_comp_atom.model_Cartn_x"

#define	CHEMICAL_ATOM_Y "chem_comp_atom.model_Cartn_y"

#define	CHEMICAL_ATOM_Z "chem_comp_atom.model_Cartn_z"

#define	CHEMICAL_ATOM_XI "chem_comp_atom.pdbx_model_Cartn_x_ideal"

#define	CHEMICAL_ATOM_YI "chem_comp_atom.pdbx_model_Cartn_y_ideal"

#define	CHEMICAL_ATOM_ZI "chem_comp_atom.pdbx_model_Cartn_z_ideal"

#define	CHEMICAL_ATOM_IDP "chem_comp_atom.pdbx_component_atom_id"

#define	CHEMICAL_ATOM_RESP "chem_comp_atom.pdbx_component_comp_id"

#define	CHEMICAL_ATOM_NUMBER "chem_comp_atom.pdbx_ordinal"

Detailed Description

All STAR file format tags for molecules and molecular parameters.

Author: Bernard Heymann

Date: Created: 20000419; Modified: 20220929

Macro Definition Documentation

◆ ANGLE_TYPE_ANGLE

#define ANGLE_TYPE_ANGLE "angle_type.angle"

◆ ANGLE_TYPE_SYMBOL1

#define ANGLE_TYPE_SYMBOL1 "angle_type.symbol1"

◆ ANGLE_TYPE_SYMBOL2

#define ANGLE_TYPE_SYMBOL2 "angle_type.symbol2"

◆ ANGLE_TYPE_SYMBOL3

#define ANGLE_TYPE_SYMBOL3 "angle_type.symbol3"

◆ ATOM_BFACTOR

#define ATOM_BFACTOR "atom_site.B_iso_or_equiv"

◆ ATOM_CHAIN

#define ATOM_CHAIN "atom_site.label_asym_id"

◆ ATOM_CHARGE

#define ATOM_CHARGE "atom_site.charge"

◆ ATOM_ENTITY

#define ATOM_ENTITY "atom_site.label_entity_id"

◆ ATOM_FOOTNOTE_ID

#define ATOM_FOOTNOTE_ID "atom_site.footnote_id"

◆ ATOM_FRACT_X

#define ATOM_FRACT_X "atom_site.fract_x"

◆ ATOM_FRACT_Y

#define ATOM_FRACT_Y "atom_site.fract_y"

◆ ATOM_FRACT_Z

#define ATOM_FRACT_Z "atom_site.fract_z"

◆ ATOM_LABEL

#define ATOM_LABEL "atom_site.group_PDB"

◆ ATOM_NUMBER

#define ATOM_NUMBER "atom_site.id"

◆ ATOM_OCCUPANCY

#define ATOM_OCCUPANCY "atom_site.occupancy"

◆ ATOM_PDB

#define ATOM_PDB "atom_site.group_PDB"

◆ ATOM_RESIDUE

#define ATOM_RESIDUE "atom_site.label_comp_id"

◆ ATOM_RESINSERT

#define ATOM_RESINSERT "atom_site.pdbx_PDB_ins_code"

◆ ATOM_RESNUMBER

#define ATOM_RESNUMBER "atom_site.label_seq_id"

◆ ATOM_SEGMENT

#define ATOM_SEGMENT "atom_site.auth_asym_id"

◆ ATOM_SYMBOL

#define ATOM_SYMBOL "atom_site.type_symbol"

◆ ATOM_TOPTYPE

#define ATOM_TOPTYPE "atom_site.label_atom_id"

◆ ATOM_TYPE

#define ATOM_TYPE "atom_type"

◆ ATOM_TYPE_COUNT

#define ATOM_TYPE_COUNT "atom_type.count"

◆ ATOM_TYPE_MASS

#define ATOM_TYPE_MASS "atom_type.mass"

◆ ATOM_TYPE_NUMBER

#define ATOM_TYPE_NUMBER "atom_type.atom_number"

◆ ATOM_TYPE_OXIDATION

#define ATOM_TYPE_OXIDATION "atom_type.oxidation_number"

◆ ATOM_TYPE_RADIUS_BOND

#define ATOM_TYPE_RADIUS_BOND "atom_type.radius_bond"

◆ ATOM_TYPE_RADIUS_VDW

#define ATOM_TYPE_RADIUS_VDW "atom_type.radius_contact"

◆ ATOM_TYPE_SCAT_A1

#define ATOM_TYPE_SCAT_A1 "atom_type.scat_Cromer_Mann_a1"

◆ ATOM_TYPE_SCAT_A2

#define ATOM_TYPE_SCAT_A2 "atom_type.scat_Cromer_Mann_a2"

◆ ATOM_TYPE_SCAT_A3

#define ATOM_TYPE_SCAT_A3 "atom_type.scat_Cromer_Mann_a3"

◆ ATOM_TYPE_SCAT_A4

#define ATOM_TYPE_SCAT_A4 "atom_type.scat_Cromer_Mann_a4"

◆ ATOM_TYPE_SCAT_A5

#define ATOM_TYPE_SCAT_A5 "atom_type.scat_Cromer_Mann_a5"

◆ ATOM_TYPE_SCAT_B1

#define ATOM_TYPE_SCAT_B1 "atom_type.scat_Cromer_Mann_b1"

◆ ATOM_TYPE_SCAT_B2

#define ATOM_TYPE_SCAT_B2 "atom_type.scat_Cromer_Mann_b2"

◆ ATOM_TYPE_SCAT_B3

#define ATOM_TYPE_SCAT_B3 "atom_type.scat_Cromer_Mann_b3"

◆ ATOM_TYPE_SCAT_B4

#define ATOM_TYPE_SCAT_B4 "atom_type.scat_Cromer_Mann_b4"

◆ ATOM_TYPE_SCAT_B5

#define ATOM_TYPE_SCAT_B5 "atom_type.scat_Cromer_Mann_b5"

◆ ATOM_TYPE_SCAT_C

#define ATOM_TYPE_SCAT_C "atom_type.scat_Cromer_Mann_c"

◆ ATOM_TYPE_SYMBOL

#define ATOM_TYPE_SYMBOL "atom_type.symbol"

◆ ATOM_X

#define ATOM_X "atom_site.Cartn_x"

◆ ATOM_Y

#define ATOM_Y "atom_site.Cartn_y"

◆ ATOM_Z

#define ATOM_Z "atom_site.Cartn_z"

◆ BOND_RULE_BONDS

#define BOND_RULE_BONDS "bond_rule.bonds"

◆ BOND_RULE_SYMBOL

#define BOND_RULE_SYMBOL "bond_rule.symbol"

◆ BOND_TYPE_LENGTH

#define BOND_TYPE_LENGTH "bond_type.length"

◆ BOND_TYPE_SYMBOL1

#define BOND_TYPE_SYMBOL1 "bond_type.symbol1"

◆ BOND_TYPE_SYMBOL2

#define BOND_TYPE_SYMBOL2 "bond_type.symbol2"

◆ BOND_TYPE_VDWDIST

#define BOND_TYPE_VDWDIST "bond_type.VdW_distance"

◆ CELL_A

#define CELL_A "cell.length_a"

◆ CELL_ALPHA

#define CELL_ALPHA "cell.angle_alpha"

◆ CELL_B

#define CELL_B "cell.length_b"

◆ CELL_BETA

#define CELL_BETA "cell.angle_beta"

◆ CELL_C

#define CELL_C "cell.length_c"

◆ CELL_GAMMA

#define CELL_GAMMA "cell.angle_gamma"

◆ CHEMICAL_ATOM_CHARGE

#define CHEMICAL_ATOM_CHARGE "chem_comp_atom.charge"

◆ CHEMICAL_ATOM_ID

#define CHEMICAL_ATOM_ID "chem_comp_atom.atom_id"

◆ CHEMICAL_ATOM_ID_ALT

#define CHEMICAL_ATOM_ID_ALT "chem_comp_atom.alt_atom_id"

◆ CHEMICAL_ATOM_IDP

#define CHEMICAL_ATOM_IDP "chem_comp_atom.pdbx_component_atom_id"

◆ CHEMICAL_ATOM_NUMBER

#define CHEMICAL_ATOM_NUMBER "chem_comp_atom.pdbx_ordinal"

◆ CHEMICAL_ATOM_RES

#define CHEMICAL_ATOM_RES "chem_comp_atom.comp_id"

◆ CHEMICAL_ATOM_RESP

#define CHEMICAL_ATOM_RESP "chem_comp_atom.pdbx_component_comp_id"

◆ CHEMICAL_ATOM_SYMBOL

#define CHEMICAL_ATOM_SYMBOL "chem_comp_atom.type_symbol"

◆ CHEMICAL_ATOM_X

#define CHEMICAL_ATOM_X "chem_comp_atom.model_Cartn_x"

◆ CHEMICAL_ATOM_XI

#define CHEMICAL_ATOM_XI "chem_comp_atom.pdbx_model_Cartn_x_ideal"

◆ CHEMICAL_ATOM_Y

#define CHEMICAL_ATOM_Y "chem_comp_atom.model_Cartn_y"

◆ CHEMICAL_ATOM_YI

#define CHEMICAL_ATOM_YI "chem_comp_atom.pdbx_model_Cartn_y_ideal"

◆ CHEMICAL_ATOM_Z

#define CHEMICAL_ATOM_Z "chem_comp_atom.model_Cartn_z"

◆ CHEMICAL_ATOM_ZI

#define CHEMICAL_ATOM_ZI "chem_comp_atom.pdbx_model_Cartn_z_ideal"

◆ CHEMICAL_FOMRULA

#define CHEMICAL_FOMRULA "chem_comp.formula"

◆ CHEMICAL_ID

#define CHEMICAL_ID "chem_comp.id"

◆ CHEMICAL_NAME

#define CHEMICAL_NAME "chem_comp.name"

◆ CHEMICAL_ONE

#define CHEMICAL_ONE "chem_comp.one_letter_code"

◆ CHEMICAL_PDB

#define CHEMICAL_PDB "chem_comp.pdbx_type"

◆ CHEMICAL_THREE

#define CHEMICAL_THREE "chem_comp.three_letter_code"

◆ CHEMICAL_WEIGHT

#define CHEMICAL_WEIGHT "chem_comp.formula_weight"

◆ ENTRY_ID

#define ENTRY_ID "pdbx_database_status.entry_id"

◆ HELIX_CHAIN

#define HELIX_CHAIN "struct_conf.beg_label_asym_id"

◆ HELIX_ID

#define HELIX_ID "struct_conf.pdbx_PDB_helix_id"

◆ HELIX_RESIDUE1

#define HELIX_RESIDUE1 "struct_conf.beg_label_comp_id"

◆ HELIX_RESIDUE2

#define HELIX_RESIDUE2 "struct_conf.end_label_comp_id"

◆ HELIX_RESNUM1

#define HELIX_RESNUM1 "struct_conf.beg_label_seq_id"

◆ HELIX_RESNUM2

#define HELIX_RESNUM2 "struct_conf.end_label_seq_id"

◆ MOL_ID

#define MOL_ID "struct_asym.id"

◆ MOLECULE_FILENAME

#define MOLECULE_FILENAME "molecule.file_name"

◆ MOLECULE_FOM

#define MOLECULE_FOM "molecule.fom"

◆ MOLECULE_LENGTH

#define MOLECULE_LENGTH "molecule.length"

◆ MOLECULE_MAP_FILE

#define MOLECULE_MAP_FILE "molecule.map_file_name"

◆ MOLECULE_MAP_NUMBER

#define MOLECULE_MAP_NUMBER "molecule.map_number"

◆ MOLECULE_NAME

#define MOLECULE_NAME "molecule.name"

◆ MOLECULE_SELECT

#define MOLECULE_SELECT "molecule.select"

◆ MOLECULE_SEQUENCE

#define MOLECULE_SEQUENCE "molecule.sequence"

◆ MOLECULE_VIEW_ANGLE

#define MOLECULE_VIEW_ANGLE "molecule.view_angle"

◆ MOLECULE_VIEW_X

#define MOLECULE_VIEW_X "molecule.view_x"

◆ MOLECULE_VIEW_Y

#define MOLECULE_VIEW_Y "molecule.view_y"

◆ MOLECULE_VIEW_Z

#define MOLECULE_VIEW_Z "molecule.view_z"

◆ MOLECULE_X

#define MOLECULE_X "molecule.x"

◆ MOLECULE_Y

#define MOLECULE_Y "molecule.y"

◆ MOLECULE_Z

#define MOLECULE_Z "molecule.z"

◆ RESCOIL_CODE1

#define RESCOIL_CODE1 "residue_coil.code1"

◆ RESCOIL_POS_A

#define RESCOIL_POS_A "residue_coil.position_a"

◆ RESCOIL_POS_B

#define RESCOIL_POS_B "residue_coil.position_b"

◆ RESCOIL_POS_C

#define RESCOIL_POS_C "residue_coil.position_c"

◆ RESCOIL_POS_D

#define RESCOIL_POS_D "residue_coil.position_d"

◆ RESCOIL_POS_E

#define RESCOIL_POS_E "residue_coil.position_e"

◆ RESCOIL_POS_F

#define RESCOIL_POS_F "residue_coil.position_f"

◆ RESCOIL_POS_G

#define RESCOIL_POS_G "residue_coil.position_g"

◆ RESMATRIX1_CODE1

#define RESMATRIX1_CODE1 "residue1_matrix.code1"

◆ RESMATRIX2_CODE1

#define RESMATRIX2_CODE1 "residue2_matrix.code1"

◆ RESMATRIX_SUBSTITUTION

#define RESMATRIX_SUBSTITUTION "residue_matrix.substitution"

◆ RESPROP_C

#define RESPROP_C "residue_property.C"

◆ RESPROP_CHARGE

#define RESPROP_CHARGE "residue_property.charge"

◆ RESPROP_CODE1

#define RESPROP_CODE1 "residue_property.code1"

◆ RESPROP_CODE3

#define RESPROP_CODE3 "residue_property.code3"

◆ RESPROP_CODON

#define RESPROP_CODON "residue_property.codon"

◆ RESPROP_EXTENSION

#define RESPROP_EXTENSION "residue_property.extension"

◆ RESPROP_EXTSTDEV

#define RESPROP_EXTSTDEV "residue_property.extstdev"

◆ RESPROP_H

#define RESPROP_H "residue_property.H"

◆ RESPROP_HYDROPHOBICITY

#define RESPROP_HYDROPHOBICITY "residue_property.hydrophobicity"

◆ RESPROP_MASS

#define RESPROP_MASS "residue_property.mass"

◆ RESPROP_N

#define RESPROP_N "residue_property.N"

◆ RESPROP_O

#define RESPROP_O "residue_property.O"

◆ RESPROP_S

#define RESPROP_S "residue_property.S"

◆ RESPROP_VOLUME

#define RESPROP_VOLUME "residue_property.volume"

◆ SHEET_CHAIN

#define SHEET_CHAIN "struct_sheet_range.beg_label_asym_id"

◆ SHEET_ID

#define SHEET_ID "struct_sheet_range.sheet_id"

◆ SHEET_ORDER_ID

#define SHEET_ORDER_ID "struct_sheet_order.sheet_id"

◆ SHEET_ORDER_SENSE

#define SHEET_ORDER_SENSE "struct_sheet_order.sense"

◆ SHEET_ORDER_STRAND_ID

#define SHEET_ORDER_STRAND_ID "struct_sheet_order.range_id_2"

◆ SHEET_RESIDUE1

#define SHEET_RESIDUE1 "struct_sheet_range.beg_label_comp_id"

◆ SHEET_RESIDUE2

#define SHEET_RESIDUE2 "struct_sheet_range.end_label_comp_id"

◆ SHEET_RESNUM1

#define SHEET_RESNUM1 "struct_sheet_range.beg_label_seq_id"

◆ SHEET_RESNUM2

#define SHEET_RESNUM2 "struct_sheet_range.end_label_seq_id"

◆ SHEET_STRAND_ID

#define SHEET_STRAND_ID "struct_sheet_range.id"

Macros