Go to the documentation of this file.
39 #ifndef CCP4SRS_DEFS_H
40 #define CCP4SRS_DEFS_H
46 #define MMCIF_COMP "comp_"
47 #define MMCIF_TAG_Name "name"
48 #define MMCIF_TAG_Type "type"
49 #define MMCIF_TAG_Formula "formula"
51 #define MMCIF_STRUCT_CHEM_COMP "_chem_comp"
53 #define MMCIF_LOOP_CHEM_COMP_ATOM "_chem_comp_atom"
54 #define MMCIF_TAG_COMP_ID "comp_id"
55 #define MMCIF_TAG_ATOM_ID "atom_id"
56 #define MMCIF_TAG_ALT_ATOM_ID "alt_atom_id"
57 #define MMCIF_TAG_TYPE_SYMBOL "type_symbol"
58 #define MMCIF_TAG_TYPE_ENERGY "type_energy"
59 #define MMCIF_TAG_PARTIAL_CHARGE "partial_charge"
60 #define MMCIF_TAG_X "x"
61 #define MMCIF_TAG_Y "y"
62 #define MMCIF_TAG_Z "z"
63 #define MMCIF_TAG_MODEL_CARTN_X "model_Cartn_x"
64 #define MMCIF_TAG_MODEL_CARTN_Y "model_Cartn_y"
65 #define MMCIF_TAG_MODEL_CARTN_Z "model_Cartn_z"
66 #define MMCIF_TAG_PDBX_MODEL_CARTN_X "pdbx_model_Cartn_x_ideal"
67 #define MMCIF_TAG_PDBX_MODEL_CARTN_Y "pdbx_model_Cartn_y_ideal"
68 #define MMCIF_TAG_PDBX_MODEL_CARTN_Z "pdbx_model_Cartn_z_ideal"
70 #define MMCIF_TAG_PDBX_STEREO_CONFIG "pdbx_stereo_config"
71 #define MMCIF_TAG_PDBX_LEAVING_ATOM_FLAG "pdbx_leaving_atom_flag"
72 #define MMCIF_TAG_PDBX_AROMATIC_FLAG "pdbx_aromatic_flag"
73 #define MMCIF_TAG_VALUE_ORDER "value_order"
75 #define MMCIF_LOOP_CHEM_COMP_TREE "_chem_comp_tree"
76 #define MMCIF_TAG_ATOM_BACK "atom_back"
77 #define MMCIF_TAG_ATOM_FORWARD "atom_forward"
78 #define MMCIF_TAG_CONNECT_TYPE "connect_type"
80 #define MMCIF_LOOP_CHEM_COMP_BOND "_chem_comp_bond"
81 #define MMCIF_TAG_ATOM_ID_1 "atom_id_1"
82 #define MMCIF_TAG_ATOM_ID_2 "atom_id_2"
83 #define MMCIF_TAG_TYPE "type"
84 #define MMCIF_TAG_VALUE_DIST "value_dist"
85 #define MMCIF_TAG_VALUE_DIST_ESD "value_dist_esd"
87 #define MMCIF_LOOP_CHEM_COMP_ANGLE "_chem_comp_angle"
88 #define MMCIF_TAG_ATOM_ID_3 "atom_id_3"
89 #define MMCIF_TAG_VALUE_ANGLE "value_angle"
90 #define MMCIF_TAG_VALUE_ANGLE_ESD "value_angle_esd"
92 #define MMCIF_LOOP_CHEM_COMP_CHIR "_chem_comp_chir"
93 #define MMCIF_TAG_ID "id"
94 #define MMCIF_TAG_ATOM_ID_CENTRE "atom_id_centre"
95 #define MMCIF_TAG_VOLUME_SIGN "volume_sign"
97 #define MMCIF_LOOP_CHEM_COMP_TOR "_chem_comp_tor"
98 #define MMCIF_TAG_ATOM_ID_4 "atom_id_4"
99 #define MMCIF_TAG_PERIOD "period"
101 #define MMCIF_LOOP_CHEM_COMP_PLANE_ATOM "_chem_comp_plane_atom"
102 #define MMCIF_TAG_PLANE_ID "plane_id"
103 #define MMCIF_TAG_DIST_ESD "dist_esd"
105 #define MMCIF_LOOP_CHEM_COMP_DESCRIPTOR "_pdbx_chem_comp_descriptor"
106 #define MMCIF_TAG_PROGRAM "program"
107 #define MMCIF_TAG_PROGRAM_VERSION "program_version"
108 #define MMCIF_TAG_DESCRIPTOR "descriptor"
118 #endif // CCP4SRS_DEFS_H