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updated mmcif: reordered, added chem_comp, entry, struct, struct_keywords

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This commit is contained in:
Alexander Rose
2018-03-15 16:01:38 -07:00
parent ab404049a4
commit ac614ebd32
2 changed files with 103 additions and 65 deletions
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147
data/mmcif-popular-field-names.csv
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@@ -1,16 +1,40 @@
entity.id
entity.type
entity.src_method
entity.pdbx_description
entity.formula_weight
entity.pdbx_number_of_molecules
entity.details
entity.pdbx_mutation
entity.pdbx_fragment
entity.pdbx_ec
atom_site.group_PDB
atom_site.id
atom_site.type_symbol
atom_site.label_atom_id
atom_site.label_alt_id
atom_site.label_comp_id
atom_site.label_asym_id
atom_site.label_entity_id
atom_site.label_seq_id
atom_site.pdbx_PDB_ins_code
atom_site.pdbx_formal_charge
atom_site.Cartn_x
atom_site.Cartn_y
atom_site.Cartn_z
atom_site.occupancy
atom_site.B_iso_or_equiv
atom_site.auth_atom_id
atom_site.auth_comp_id
atom_site.auth_asym_id
atom_site.auth_seq_id
atom_site.pdbx_PDB_model_num
exptl.entry_id
exptl.method
chem_comp.id
chem_comp.type
chem_comp.mon_nstd_flag
chem_comp.name
chem_comp.pdbx_synonyms
chem_comp.formula
chem_comp.formula_weight
chem_comp_bond.comp_id
chem_comp_bond.pdbx_stereo_config
chem_comp_bond.pdbx_ordinal
chem_comp_bond.pdbx_aromatic_flag
chem_comp_bond.atom_id_1
chem_comp_bond.atom_id_2
chem_comp_bond.value_order
cell.entry_id
cell.length_a
@@ -22,12 +46,24 @@ cell.angle_gamma
cell.Z_PDB
cell.pdbx_unique_axis
symmetry.entry_id
symmetry.space_group_name_H-M
symmetry.pdbx_full_space_group_name_H
symmetry.cell_setting
symmetry.Int_Tables_number
symmetry.space_group_name_Hall
entity.id
entity.type
entity.src_method
entity.pdbx_description
entity.formula_weight
entity.pdbx_number_of_molecules
entity.details
entity.pdbx_mutation
entity.pdbx_fragment
entity.pdbx_ec
entry.id
exptl.entry_id
exptl.method
struct.entry_id
struct.title
struct_conf.conf_type_id
struct_conf.id
@@ -50,23 +86,6 @@ struct_conf.pdbx_PDB_helix_class
struct_conf.details
struct_conf.pdbx_PDB_helix_length
struct_sheet_range.sheet_id
struct_sheet_range.id
struct_sheet_range.beg_label_comp_id
struct_sheet_range.beg_label_asym_id
struct_sheet_range.beg_label_seq_id
struct_sheet_range.pdbx_beg_PDB_ins_code
struct_sheet_range.end_label_comp_id
struct_sheet_range.end_label_asym_id
struct_sheet_range.end_label_seq_id
struct_sheet_range.pdbx_end_PDB_ins_code
struct_sheet_range.beg_auth_comp_id
struct_sheet_range.beg_auth_asym_id
struct_sheet_range.beg_auth_seq_id
struct_sheet_range.end_auth_comp_id
struct_sheet_range.end_auth_asym_id
struct_sheet_range.end_auth_seq_id
struct_conn.id
struct_conn.conn_type_id
struct_conn.pdbx_PDB_id
@@ -104,13 +123,33 @@ struct_conn_type.id
struct_conn_type.criteria
struct_conn_type.reference
chem_comp_bond.comp_id
chem_comp_bond.pdbx_stereo_config
chem_comp_bond.pdbx_ordinal
chem_comp_bond.pdbx_aromatic_flag
chem_comp_bond.atom_id_1
chem_comp_bond.atom_id_2
chem_comp_bond.value_order
struct_keywords.entry_id
struct_keywords.pdbx_keywords
struct_keywords.text
struct_sheet_range.sheet_id
struct_sheet_range.id
struct_sheet_range.beg_label_comp_id
struct_sheet_range.beg_label_asym_id
struct_sheet_range.beg_label_seq_id
struct_sheet_range.pdbx_beg_PDB_ins_code
struct_sheet_range.end_label_comp_id
struct_sheet_range.end_label_asym_id
struct_sheet_range.end_label_seq_id
struct_sheet_range.pdbx_end_PDB_ins_code
struct_sheet_range.beg_auth_comp_id
struct_sheet_range.beg_auth_asym_id
struct_sheet_range.beg_auth_seq_id
struct_sheet_range.end_auth_comp_id
struct_sheet_range.end_auth_asym_id
struct_sheet_range.end_auth_seq_id
symmetry.entry_id
symmetry.space_group_name_H-M
symmetry.pdbx_full_space_group_name_H
symmetry.cell_setting
symmetry.Int_Tables_number
symmetry.space_group_name_Hall
pdbx_struct_assembly.id
pdbx_struct_assembly.details
@@ -138,26 +177,4 @@ pdbx_struct_mod_residue.auth_seq_id
pdbx_struct_mod_residue.auth_comp_id
pdbx_struct_mod_residue.PDB_ins_code
pdbx_struct_mod_residue.parent_comp_id
pdbx_struct_mod_residue.details
atom_site.group_PDB
atom_site.id
atom_site.type_symbol
atom_site.label_atom_id
atom_site.label_alt_id
atom_site.label_comp_id
atom_site.label_asym_id
atom_site.label_entity_id
atom_site.label_seq_id
atom_site.pdbx_PDB_ins_code
atom_site.pdbx_formal_charge
atom_site.Cartn_x
atom_site.Cartn_y
atom_site.Cartn_z
atom_site.occupancy
atom_site.B_iso_or_equiv
atom_site.auth_atom_id
atom_site.auth_comp_id
atom_site.auth_asym_id
atom_site.auth_seq_id
atom_site.pdbx_PDB_model_num
pdbx_struct_mod_residue.details
1 entity.id atom_site.group_PDB
2 entity.type atom_site.id
3 entity.src_method atom_site.type_symbol
4 entity.pdbx_description atom_site.label_atom_id
5 entity.formula_weight atom_site.label_alt_id
6 entity.pdbx_number_of_molecules atom_site.label_comp_id
7 entity.details atom_site.label_asym_id
8 entity.pdbx_mutation atom_site.label_entity_id
9 entity.pdbx_fragment atom_site.label_seq_id
10 entity.pdbx_ec atom_site.pdbx_PDB_ins_code
11 atom_site.pdbx_formal_charge
12 atom_site.Cartn_x
13 atom_site.Cartn_y
14 atom_site.Cartn_z
15 atom_site.occupancy
16 atom_site.B_iso_or_equiv
17 atom_site.auth_atom_id
18 atom_site.auth_comp_id
19 atom_site.auth_asym_id
20 atom_site.auth_seq_id
21 atom_site.pdbx_PDB_model_num
22 exptl.entry_id chem_comp.id
23 exptl.method chem_comp.type
24 cell.entry_id chem_comp.mon_nstd_flag
25 chem_comp.name
26 chem_comp.pdbx_synonyms
27 chem_comp.formula
28 chem_comp.formula_weight
29 chem_comp_bond.comp_id
30 chem_comp_bond.pdbx_stereo_config
31 chem_comp_bond.pdbx_ordinal
32 chem_comp_bond.pdbx_aromatic_flag
33 chem_comp_bond.atom_id_1
34 chem_comp_bond.atom_id_2
35 chem_comp_bond.value_order
36 cell.entry_id
37 cell.length_a
38 cell.length_a cell.length_b
39 cell.length_b cell.length_c
40 cell.length_c cell.angle_alpha
46 symmetry.entry_id entity.type
47 symmetry.space_group_name_H-M entity.src_method
48 symmetry.pdbx_full_space_group_name_H entity.pdbx_description
49 symmetry.cell_setting entity.formula_weight
50 symmetry.Int_Tables_number entity.pdbx_number_of_molecules
51 symmetry.space_group_name_Hall entity.details
52 struct_conf.conf_type_id entity.pdbx_mutation
53 struct_conf.id entity.pdbx_fragment
54 struct_conf.pdbx_PDB_helix_id entity.pdbx_ec
55 entry.id
56 exptl.entry_id
57 exptl.method
58 struct.entry_id
59 struct.title
60 struct_conf.conf_type_id
61 struct_conf.id
62 struct_conf.pdbx_PDB_helix_id
63 struct_conf.beg_label_comp_id
64 struct_conf.beg_label_asym_id
65 struct_conf.beg_label_seq_id
66 struct_conf.pdbx_beg_PDB_ins_code
67 struct_conf.beg_label_comp_id struct_conf.end_label_comp_id
68 struct_conf.beg_label_asym_id struct_conf.end_label_asym_id
69 struct_conf.beg_label_seq_id struct_conf.end_label_seq_id
86 struct_sheet_range.beg_label_comp_id struct_conn.ptnr1_label_atom_id
87 struct_sheet_range.beg_label_asym_id struct_conn.pdbx_ptnr1_label_alt_id
88 struct_sheet_range.beg_label_seq_id struct_conn.pdbx_ptnr1_PDB_ins_code
struct_sheet_range.pdbx_beg_PDB_ins_code
struct_sheet_range.end_label_comp_id
struct_sheet_range.end_label_asym_id
struct_sheet_range.end_label_seq_id
struct_sheet_range.pdbx_end_PDB_ins_code
struct_sheet_range.beg_auth_comp_id
struct_sheet_range.beg_auth_asym_id
struct_sheet_range.beg_auth_seq_id
struct_sheet_range.end_auth_comp_id
struct_sheet_range.end_auth_asym_id
struct_sheet_range.end_auth_seq_id
struct_conn.id
struct_conn.conn_type_id
struct_conn.pdbx_PDB_id
struct_conn.ptnr1_label_asym_id
struct_conn.ptnr1_label_comp_id
struct_conn.ptnr1_label_seq_id
89 struct_conn.ptnr1_label_atom_id struct_conn.pdbx_ptnr1_standard_comp_id
90 struct_conn.pdbx_ptnr1_label_alt_id struct_conn.ptnr1_symmetry
91 struct_conn.pdbx_ptnr1_PDB_ins_code struct_conn.ptnr2_label_asym_id
123 chem_comp_bond.atom_id_2 struct_sheet_range.pdbx_beg_PDB_ins_code
124 chem_comp_bond.value_order struct_sheet_range.end_label_comp_id
125 pdbx_struct_assembly.id struct_sheet_range.end_label_asym_id
126 pdbx_struct_assembly.details struct_sheet_range.end_label_seq_id
127 pdbx_struct_assembly.method_details struct_sheet_range.pdbx_end_PDB_ins_code
128 pdbx_struct_assembly.oligomeric_details struct_sheet_range.beg_auth_comp_id
129 pdbx_struct_assembly.oligomeric_count struct_sheet_range.beg_auth_asym_id
130 pdbx_struct_assembly_gen.assembly_id struct_sheet_range.beg_auth_seq_id
131 pdbx_struct_assembly_gen.oper_expression struct_sheet_range.end_auth_comp_id
132 pdbx_struct_assembly_gen.asym_id_list struct_sheet_range.end_auth_asym_id
133 struct_sheet_range.end_auth_seq_id
134 symmetry.entry_id
135 symmetry.space_group_name_H-M
136 symmetry.pdbx_full_space_group_name_H
137 symmetry.cell_setting
138 symmetry.Int_Tables_number
139 symmetry.space_group_name_Hall
140 pdbx_struct_assembly.id
141 pdbx_struct_assembly.details
142 pdbx_struct_assembly.method_details
143 pdbx_struct_assembly.oligomeric_details
144 pdbx_struct_assembly.oligomeric_count
145 pdbx_struct_assembly_gen.assembly_id
146 pdbx_struct_assembly_gen.oper_expression
147 pdbx_struct_assembly_gen.asym_id_list
148 pdbx_struct_oper_list.id
149 pdbx_struct_oper_list.type
150 pdbx_struct_oper_list.name
151 pdbx_struct_oper_list.symmetry_operation
152 pdbx_struct_oper_list.matrix
153 pdbx_struct_oper_list.id pdbx_struct_oper_list.vector
154 pdbx_struct_oper_list.type pdbx_struct_mod_residue.id
155 pdbx_struct_oper_list.name pdbx_struct_mod_residue.label_asym_id
177 atom_site.label_seq_id
178 atom_site.pdbx_PDB_ins_code
179 atom_site.pdbx_formal_charge
180 atom_site.Cartn_x
atom_site.Cartn_y
atom_site.Cartn_z
atom_site.occupancy
atom_site.B_iso_or_equiv
atom_site.auth_atom_id
atom_site.auth_comp_id
atom_site.auth_asym_id
atom_site.auth_seq_id
atom_site.pdbx_PDB_model_num