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1 /***********************************************************************
2 *
3 **
4 * Automatic header module from ASNTOOL
5 *
6 ************************************************************************/
7
8 #ifndef _ASNTOOL_
9 #include <asn.h>
10 #endif
11
12 static char * asnfilename = "mmdb2.h60";
13 static AsnValxNode avnx[27] = {
14 {20,"ncbi-vector" ,1,0.0,&avnx[1] } ,
15 {20,"ncbi-backbone" ,2,0.0,&avnx[2] } ,
16 {20,"ncbi-all-atom" ,3,0.0,&avnx[3] } ,
17 {20,"pdb-model" ,4,0.0,&avnx[4] } ,
18 {20,"other" ,255,0.0,NULL } ,
19 {20,"angstroms" ,1,0.0,&avnx[6] } ,
20 {20,"nanometers" ,2,0.0,&avnx[7] } ,
21 {20,"other" ,3,0.0,&avnx[8] } ,
22 {20,"unknown" ,255,0.0,NULL } ,
23 {20,"b" ,1,0.0,&avnx[10] } ,
24 {20,"u" ,2,0.0,&avnx[11] } ,
25 {20,"other" ,3,0.0,&avnx[12] } ,
26 {20,"unknown" ,255,0.0,NULL } ,
27 {20,"fractional" ,1,0.0,&avnx[14] } ,
28 {20,"electrons" ,2,0.0,&avnx[15] } ,
29 {20,"other" ,3,0.0,&avnx[16] } ,
30 {20,"unknown" ,255,0.0,NULL } ,
31 {20,"electrons-per-unit-volume" ,1,0.0,&avnx[18] } ,
32 {20,"arbitrary-scale" ,2,0.0,&avnx[19] } ,
33 {20,"other" ,3,0.0,&avnx[20] } ,
34 {20,"unknown" ,255,0.0,NULL } ,
35 {20,"x" ,1,0.0,&avnx[22] } ,
36 {20,"y" ,2,0.0,&avnx[23] } ,
37 {20,"z" ,3,0.0,NULL } ,
38 {20,"x" ,1,0.0,&avnx[25] } ,
39 {20,"y" ,2,0.0,&avnx[26] } ,
40 {20,"z" ,3,0.0,NULL } };
41
42 static AsnType atx[151] = {
43 {401, "Biostruc-model" ,1,0,0,0,0,1,0,0,NULL,&atx[32],&atx[1],0,&atx[2]} ,
44 {0, "id" ,128,0,0,0,0,0,0,0,NULL,&atx[2],NULL,0,&atx[4]} ,
45 {402, "Model-id" ,1,0,0,0,0,1,0,0,NULL,&atx[3],NULL,0,&atx[37]} ,
46 {302, "INTEGER" ,0,2,0,0,0,0,0,0,NULL,NULL,NULL,0,NULL} ,
47 {0, "type" ,128,1,0,0,0,0,0,0,NULL,&atx[5],NULL,0,&atx[6]} ,
48 {414, "Model-type" ,1,0,0,0,0,0,0,0,NULL,&atx[3],&avnx[0],0,&atx[8]} ,
49 {0, "descr" ,128,2,0,1,0,0,0,0,NULL,&atx[18],&atx[7],0,&atx[19]} ,
50 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[8],NULL,0,NULL} ,
51 {415, "Model-descr" ,1,0,0,0,0,0,0,0,NULL,&atx[17],&atx[9],0,&atx[20]} ,
52 {0, "name" ,128,0,0,0,0,0,0,0,NULL,&atx[10],NULL,0,&atx[11]} ,
53 {323, "VisibleString" ,0,26,0,0,0,0,0,0,NULL,NULL,NULL,0,NULL} ,
54 {0, "pdb-reso" ,128,1,0,0,0,0,0,0,NULL,&atx[10],NULL,0,&atx[12]} ,
55 {0, "pdb-method" ,128,2,0,0,0,0,0,0,NULL,&atx[10],NULL,0,&atx[13]} ,
56 {0, "pdb-comment" ,128,3,0,0,0,0,0,0,NULL,&atx[10],NULL,0,&atx[14]} ,
57 {0, "other-comment" ,128,4,0,0,0,0,0,0,NULL,&atx[10],NULL,0,&atx[15]} ,
58 {0, "attribution" ,128,5,0,0,0,0,0,0,NULL,&atx[16],NULL,0,NULL} ,
59 {413, "Pub" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[5]} ,
60 {315, "CHOICE" ,0,-1,0,0,0,0,0,0,NULL,NULL,NULL,0,NULL} ,
61 {312, "SEQUENCE OF" ,0,16,0,0,0,0,0,0,NULL,NULL,NULL,0,NULL} ,
62 {0, "model-space" ,128,3,0,1,0,0,0,0,NULL,&atx[20],NULL,0,&atx[33]} ,
63 {416, "Model-space" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[21],0,&atx[35]} ,
64 {0, "coordinate-units" ,128,0,0,0,0,0,0,0,NULL,&atx[22],&avnx[5],0,&atx[23]} ,
65 {310, "ENUMERATED" ,0,10,0,0,0,0,0,0,NULL,NULL,NULL,0,NULL} ,
66 {0, "thermal-factor-units" ,128,1,0,1,0,0,0,0,NULL,&atx[22],&avnx[9],0,&atx[24]} ,
67 {0, "occupancy-factor-units" ,128,2,0,1,0,0,0,0,NULL,&atx[22],&avnx[13],0,&atx[25]} ,
68 {0, "density-units" ,128,3,0,1,0,0,0,0,NULL,&atx[22],&avnx[17],0,&atx[26]} ,
69 {0, "reference-frame" ,128,4,0,1,0,0,0,0,NULL,&atx[27],NULL,0,NULL} ,
70 {418, "Reference-frame" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[28],0,&atx[42]} ,
71 {0, "biostruc-id" ,128,0,0,0,0,0,0,0,NULL,&atx[29],NULL,0,&atx[30]} ,
72 {412, "Biostruc-id" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[16]} ,
73 {0, "rotation-translation" ,128,1,0,1,0,0,0,0,NULL,&atx[31],NULL,0,NULL} ,
74 {411, "Transform" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[29]} ,
75 {311, "SEQUENCE" ,0,16,0,0,0,0,0,0,NULL,NULL,NULL,0,NULL} ,
76 {0, "model-coordinates" ,128,4,0,1,0,0,0,0,NULL,&atx[18],&atx[34],0,NULL} ,
77 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[35],NULL,0,NULL} ,
78 {417, "Model-coordinate-set" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[36],0,&atx[27]} ,
79 {0, "id" ,128,0,0,1,0,0,0,0,NULL,&atx[37],NULL,0,&atx[38]} ,
80 {403, "Model-coordinate-set-id" ,1,0,0,0,0,1,0,0,NULL,&atx[3],NULL,0,&atx[97]} ,
81 {0, "descr" ,128,1,0,1,0,0,0,0,NULL,&atx[18],&atx[39],0,&atx[40]} ,
82 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[8],NULL,0,NULL} ,
83 {0, "coordinates" ,128,2,0,0,0,0,0,0,NULL,&atx[17],&atx[41],0,NULL} ,
84 {0, "literal" ,128,0,0,0,0,0,0,0,NULL,&atx[42],NULL,0,&atx[149]} ,
85 {419, "Coordinates" ,1,0,0,0,0,0,0,0,NULL,&atx[17],&atx[43],0,&atx[44]} ,
86 {0, "atomic" ,128,0,0,0,0,0,0,0,NULL,&atx[44],NULL,0,&atx[94]} ,
87 {420, "Atomic-coordinates" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[45],0,&atx[95]} ,
88 {0, "number-of-points" ,128,0,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[46]} ,
89 {0, "atoms" ,128,1,0,0,0,0,0,0,NULL,&atx[47],NULL,0,&atx[48]} ,
90 {405, "Atom-pntrs" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[150]} ,
91 {0, "sites" ,128,2,0,0,0,0,0,0,NULL,&atx[49],NULL,0,&atx[57]} ,
92 {423, "Model-space-points" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[50],0,&atx[58]} ,
93 {0, "scale-factor" ,128,0,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[51]} ,
94 {0, "x" ,128,1,0,0,0,0,0,0,NULL,&atx[18],&atx[52],0,&atx[53]} ,
95 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
96 {0, "y" ,128,2,0,0,0,0,0,0,NULL,&atx[18],&atx[54],0,&atx[55]} ,
97 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
98 {0, "z" ,128,3,0,0,0,0,0,0,NULL,&atx[18],&atx[56],0,NULL} ,
99 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
100 {0, "temperature-factors" ,128,3,0,1,0,0,0,0,NULL,&atx[58],NULL,0,&atx[79]} ,
101 {424, "Atomic-temperature-factors" ,1,0,0,0,0,0,0,0,NULL,&atx[17],&atx[59],0,&atx[80]} ,
102 {0, "isotropic" ,128,0,0,0,0,0,0,0,NULL,&atx[60],NULL,0,&atx[64]} ,
103 {428, "Isotropic-temperature-factors" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[61],0,&atx[65]} ,
104 {0, "scale-factor" ,128,0,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[62]} ,
105 {0, "b" ,128,1,0,0,0,0,0,0,NULL,&atx[18],&atx[63],0,NULL} ,
106 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
107 {0, "anisotropic" ,128,1,0,0,0,0,0,0,NULL,&atx[65],NULL,0,NULL} ,
108 {429, "Anisotropic-temperature-factors" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[66],0,&atx[87]} ,
109 {0, "scale-factor" ,128,0,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[67]} ,
110 {0, "b-11" ,128,1,0,0,0,0,0,0,NULL,&atx[18],&atx[68],0,&atx[69]} ,
111 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
112 {0, "b-12" ,128,2,0,0,0,0,0,0,NULL,&atx[18],&atx[70],0,&atx[71]} ,
113 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
114 {0, "b-13" ,128,3,0,0,0,0,0,0,NULL,&atx[18],&atx[72],0,&atx[73]} ,
115 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
116 {0, "b-22" ,128,4,0,0,0,0,0,0,NULL,&atx[18],&atx[74],0,&atx[75]} ,
117 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
118 {0, "b-23" ,128,5,0,0,0,0,0,0,NULL,&atx[18],&atx[76],0,&atx[77]} ,
119 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
120 {0, "b-33" ,128,6,0,0,0,0,0,0,NULL,&atx[18],&atx[78],0,NULL} ,
121 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
122 {0, "occupancies" ,128,4,0,1,0,0,0,0,NULL,&atx[80],NULL,0,&atx[84]} ,
123 {425, "Atomic-occupancies" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[81],0,&atx[85]} ,
124 {0, "scale-factor" ,128,0,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[82]} ,
125 {0, "o" ,128,1,0,0,0,0,0,0,NULL,&atx[18],&atx[83],0,NULL} ,
126 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
127 {0, "alternate-conf-ids" ,128,5,0,1,0,0,0,0,NULL,&atx[85],NULL,0,&atx[88]} ,
128 {426, "Alternate-conformation-ids" ,1,0,0,0,0,0,0,0,NULL,&atx[18],&atx[86],0,&atx[90]} ,
129 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[87],NULL,0,NULL} ,
130 {430, "Alternate-conformation-id" ,1,0,0,0,0,0,0,0,NULL,&atx[10],NULL,0,&atx[108]} ,
131 {0, "conf-ensembles" ,128,6,0,1,0,0,0,0,NULL,&atx[18],&atx[89],0,NULL} ,
132 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[90],NULL,0,NULL} ,
133 {427, "Conformation-ensemble" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[91],0,&atx[60]} ,
134 {0, "name" ,128,0,0,0,0,0,0,0,NULL,&atx[10],NULL,0,&atx[92]} ,
135 {0, "alt-conf-ids" ,128,1,0,0,0,0,0,0,NULL,&atx[18],&atx[93],0,NULL} ,
136 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[87],NULL,0,NULL} ,
137 {0, "surface" ,128,1,0,0,0,0,0,0,NULL,&atx[95],NULL,0,&atx[137]} ,
138 {421, "Surface-coordinates" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[96],0,&atx[138]} ,
139 {0, "contents" ,128,0,0,0,0,0,0,0,NULL,&atx[97],NULL,0,&atx[98]} ,
140 {404, "Chem-graph-pntrs" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[47]} ,
141 {0, "surface" ,128,1,0,0,0,0,0,0,NULL,&atx[17],&atx[99],0,NULL} ,
142 {0, "sphere" ,128,0,0,0,0,0,0,0,NULL,&atx[100],NULL,0,&atx[101]} ,
143 {407, "Sphere" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[102]} ,
144 {0, "cone" ,128,1,0,0,0,0,0,0,NULL,&atx[102],NULL,0,&atx[103]} ,
145 {408, "Cone" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[104]} ,
146 {0, "cylinder" ,128,2,0,0,0,0,0,0,NULL,&atx[104],NULL,0,&atx[105]} ,
147 {409, "Cylinder" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[106]} ,
148 {0, "brick" ,128,3,0,0,0,0,0,0,NULL,&atx[106],NULL,0,&atx[107]} ,
149 {410, "Brick" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[31]} ,
150 {0, "tmesh" ,128,4,0,0,0,0,0,0,NULL,&atx[108],NULL,0,&atx[120]} ,
151 {431, "T-mesh" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[109],0,&atx[121]} ,
152 {0, "number-of-points" ,128,0,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[110]} ,
153 {0, "scale-factor" ,128,1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[111]} ,
154 {0, "swap" ,128,2,0,0,0,0,0,0,NULL,&atx[18],&atx[112],0,&atx[114]} ,
155 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[113],NULL,0,NULL} ,
156 {301, "BOOLEAN" ,0,1,0,0,0,0,0,0,NULL,NULL,NULL,0,NULL} ,
157 {0, "x" ,128,3,0,0,0,0,0,0,NULL,&atx[18],&atx[115],0,&atx[116]} ,
158 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
159 {0, "y" ,128,4,0,0,0,0,0,0,NULL,&atx[18],&atx[117],0,&atx[118]} ,
160 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
161 {0, "z" ,128,5,0,0,0,0,0,0,NULL,&atx[18],&atx[119],0,NULL} ,
162 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
163 {0, "triangles" ,128,5,0,0,0,0,0,0,NULL,&atx[121],NULL,0,NULL} ,
164 {432, "Triangles" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[122],0,NULL} ,
165 {0, "number-of-points" ,128,0,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[123]} ,
166 {0, "scale-factor" ,128,1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[124]} ,
167 {0, "x" ,128,2,0,0,0,0,0,0,NULL,&atx[18],&atx[125],0,&atx[126]} ,
168 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
169 {0, "y" ,128,3,0,0,0,0,0,0,NULL,&atx[18],&atx[127],0,&atx[128]} ,
170 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
171 {0, "z" ,128,4,0,0,0,0,0,0,NULL,&atx[18],&atx[129],0,&atx[130]} ,
172 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
173 {0, "number-of-triangles" ,128,5,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[131]} ,
174 {0, "v1" ,128,6,0,0,0,0,0,0,NULL,&atx[18],&atx[132],0,&atx[133]} ,
175 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
176 {0, "v2" ,128,7,0,0,0,0,0,0,NULL,&atx[18],&atx[134],0,&atx[135]} ,
177 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
178 {0, "v3" ,128,8,0,0,0,0,0,0,NULL,&atx[18],&atx[136],0,NULL} ,
179 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
180 {0, "density" ,128,2,0,0,0,0,0,0,NULL,&atx[138],NULL,0,NULL} ,
181 {422, "Density-coordinates" ,1,0,0,0,0,0,0,0,NULL,&atx[32],&atx[139],0,&atx[49]} ,
182 {0, "contents" ,128,0,0,0,0,0,0,0,NULL,&atx[97],NULL,0,&atx[140]} ,
183 {0, "grid-corners" ,128,1,0,0,0,0,0,0,NULL,&atx[106],NULL,0,&atx[141]} ,
184 {0, "grid-steps-x" ,128,2,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[142]} ,
185 {0, "grid-steps-y" ,128,3,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[143]} ,
186 {0, "grid-steps-z" ,128,4,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[144]} ,
187 {0, "fastest-varying" ,128,5,0,0,0,0,0,0,NULL,&atx[22],&avnx[21],0,&atx[145]} ,
188 {0, "slowest-varying" ,128,6,0,0,0,0,0,0,NULL,&atx[22],&avnx[24],0,&atx[146]} ,
189 {0, "scale-factor" ,128,7,0,0,0,0,0,0,NULL,&atx[3],NULL,0,&atx[147]} ,
190 {0, "density" ,128,8,0,0,0,0,0,0,NULL,&atx[18],&atx[148],0,NULL} ,
191 {0, NULL,1,-1,0,0,0,0,0,0,NULL,&atx[3],NULL,0,NULL} ,
192 {0, "reference" ,128,1,0,0,0,0,0,0,NULL,&atx[150],NULL,0,NULL} ,
193 {406, "Chem-graph-alignment" ,1,0,0,0,0,0,1,0,NULL,NULL,NULL,0,&atx[100]} };
194
195 static AsnModule ampx[1] = {
196 { "MMDB-Structural-model" , "mmdb2.h60",&atx[0],NULL,NULL,0,0} };
197
198 static AsnValxNodePtr avn = avnx;
199 static AsnTypePtr at = atx;
200 static AsnModulePtr amp = ampx;
201
202
203
204 /**************************************************
205 *
206 * Defines for Module MMDB-Structural-model
207 *
208 **************************************************/
209
210 #define BIOSTRUC_MODEL &at[0]
211 #define BIOSTRUC_MODEL_id &at[1]
212 #define BIOSTRUC_MODEL_type &at[4]
213 #define BIOSTRUC_MODEL_descr &at[6]
214 #define BIOSTRUC_MODEL_descr_E &at[7]
215 #define BIOSTRUC_MODEL_model_space &at[19]
216 #define BIOSTRUC_MODEL_model_coordinates &at[33]
217 #define BIOSTRUC_MODEL_model_coordinates_E &at[34]
218
219 #define MODEL_ID &at[2]
220
221 #define MODEL_COORDINATE_SET_ID &at[37]
222
223 #define MODEL_TYPE &at[5]
224
225 #define MODEL_DESCR &at[8]
226 #define MODEL_DESCR_name &at[9]
227 #define MODEL_DESCR_pdb_reso &at[11]
228 #define MODEL_DESCR_pdb_method &at[12]
229 #define MODEL_DESCR_pdb_comment &at[13]
230 #define MODEL_DESCR_other_comment &at[14]
231 #define MODEL_DESCR_attribution &at[15]
232
233 #define MODEL_SPACE &at[20]
234 #define MODEL_SPACE_coordinate_units &at[21]
235 #define MODEL_SPACE_thermal_factor_units &at[23]
236 #define MODEL_SPACE_occupancy_factor_units &at[24]
237 #define MODEL_SPACE_density_units &at[25]
238 #define MODEL_SPACE_reference_frame &at[26]
239
240 #define MODEL_COORDINATE_SET &at[35]
241 #define MODEL_COORDINATE_SET_id &at[36]
242 #define MODEL_COORDINATE_SET_descr &at[38]
243 #define MODEL_COORDINATE_SET_descr_E &at[39]
244 #define MODEL_COORDINATE_SET_coordinates &at[40]
245 #define MODEL_COORDINATE_SET_coordinates_literal &at[41]
246 #define MODEL_COORDINATE_SET_coordinates_reference &at[149]
247
248 #define REFERENCE_FRAME &at[27]
249 #define REFERENCE_FRAME_biostruc_id &at[28]
250 #define REFERENCE_FRAME_rotation_translation &at[30]
251
252 #define COORDINATES &at[42]
253 #define COORDINATES_atomic &at[43]
254 #define COORDINATES_surface &at[94]
255 #define COORDINATES_density &at[137]
256
257 #define ATOMIC_COORDINATES &at[44]
258 #define ATOMIC_COORDINATES_number_of_points &at[45]
259 #define ATOMIC_COORDINATES_atoms &at[46]
260 #define ATOMIC_COORDINATES_sites &at[48]
261 #define ATOMIC_COORDINATES_temperature_factors &at[57]
262 #define ATOMIC_COORDINATES_occupancies &at[79]
263 #define ATOMIC_COORDINATES_alternate_conf_ids &at[84]
264 #define ATOMIC_COORDINATES_conf_ensembles &at[88]
265 #define ATOMIC_COORDINATES_conf_ensembles_E &at[89]
266
267 #define SURFACE_COORDINATES &at[95]
268 #define SURFACE_COORDINATES_contents &at[96]
269 #define SURFACE_COORDINATES_surface &at[98]
270 #define SURFACE_COORDINATES_surface_sphere &at[99]
271 #define SURFACE_COORDINATES_surface_cone &at[101]
272 #define SURFACE_COORDINATES_surface_cylinder &at[103]
273 #define SURFACE_COORDINATES_surface_brick &at[105]
274 #define SURFACE_COORDINATES_surface_tmesh &at[107]
275 #define SURFACE_COORDINATES_surface_triangles &at[120]
276
277 #define DENSITY_COORDINATES &at[138]
278 #define DENSITY_COORDINATES_contents &at[139]
279 #define DENSITY_COORDINATES_grid_corners &at[140]
280 #define DENSITY_COORDINATES_grid_steps_x &at[141]
281 #define DENSITY_COORDINATES_grid_steps_y &at[142]
282 #define DENSITY_COORDINATES_grid_steps_z &at[143]
283 #define DENSITY_COORDINATES_fastest_varying &at[144]
284 #define DENSITY_COORDINATES_slowest_varying &at[145]
285 #define DENSITY_COORDINATES_scale_factor &at[146]
286 #define DENSITY_COORDINATES_density &at[147]
287 #define DENSITY_COORDINATES_density_E &at[148]
288
289 #define MODEL_SPACE_POINTS &at[49]
290 #define MODEL_SPACE_POINTS_scale_factor &at[50]
291 #define MODEL_SPACE_POINTS_x &at[51]
292 #define MODEL_SPACE_POINTS_x_E &at[52]
293 #define MODEL_SPACE_POINTS_y &at[53]
294 #define MODEL_SPACE_POINTS_y_E &at[54]
295 #define MODEL_SPACE_POINTS_z &at[55]
296 #define MODEL_SPACE_POINTS_z_E &at[56]
297
298 #define ATOMIC_TEMPERATURE_FACTORS &at[58]
299 #define ATOMIC_TEMPERATURE_FACTORS_isotropic &at[59]
300 #define ATOMIC_TEMPERATURE_FACTORS_anisotropic &at[64]
301
302 #define ATOMIC_OCCUPANCIES &at[80]
303 #define ATOMIC_OCCUPANCIES_scale_factor &at[81]
304 #define ATOMIC_OCCUPANCIES_o &at[82]
305 #define ATOMIC_OCCUPANCIES_o_E &at[83]
306
307 #define ALTERNATE_CONFORMATION_IDS &at[85]
308 #define ALTERNATE_CONFORMATION_IDS_E &at[86]
309
310 #define CONFORMATION_ENSEMBLE &at[90]
311 #define CONFORMATION_ENSEMBLE_name &at[91]
312 #define CONFORMATION_ENSEMBLE_alt_conf_ids &at[92]
313 #define CONFORMATION_ENSEMBLE_alt_conf_ids_E &at[93]
314
315 #define ISOTROPIC_TEMPERATURE_FACTORS &at[60]
316 #define ISOTROPIC_TEMPERATURE_FACTORS_scale_factor &at[61]
317 #define ISOTROPIC_TEMPERATURE_FACTORS_b &at[62]
318 #define ISOTROPIC_TEMPERATURE_FACTORS_b_E &at[63]
319
320 #define ANISOTROPIC_TEMPERATURE_FACTORS &at[65]
321 #define ANISOTROPIC_TEMPERATURE_FACTORS_scale_factor &at[66]
322 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_11 &at[67]
323 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_11_E &at[68]
324 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_12 &at[69]
325 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_12_E &at[70]
326 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_13 &at[71]
327 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_13_E &at[72]
328 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_22 &at[73]
329 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_22_E &at[74]
330 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_23 &at[75]
331 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_23_E &at[76]
332 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_33 &at[77]
333 #define ANISOTROPIC_TEMPERATURE_FACTORS_b_33_E &at[78]
334
335 #define ALTERNATE_CONFORMATION_ID &at[87]
336
337 #define T_MESH &at[108]
338 #define T_MESH_number_of_points &at[109]
339 #define T_MESH_scale_factor &at[110]
340 #define T_MESH_swap &at[111]
341 #define T_MESH_swap_E &at[112]
342 #define T_MESH_x &at[114]
343 #define T_MESH_x_E &at[115]
344 #define T_MESH_y &at[116]
345 #define T_MESH_y_E &at[117]
346 #define T_MESH_z &at[118]
347 #define T_MESH_z_E &at[119]
348
349 #define TRIANGLES &at[121]
350 #define TRIANGLES_number_of_points &at[122]
351 #define TRIANGLES_scale_factor &at[123]
352 #define TRIANGLES_x &at[124]
353 #define TRIANGLES_x_E &at[125]
354 #define TRIANGLES_y &at[126]
355 #define TRIANGLES_y_E &at[127]
356 #define TRIANGLES_z &at[128]
357 #define TRIANGLES_z_E &at[129]
358 #define TRIANGLES_number_of_triangles &at[130]
359 #define TRIANGLES_v1 &at[131]
360 #define TRIANGLES_v1_E &at[132]
361 #define TRIANGLES_v2 &at[133]
362 #define TRIANGLES_v2_E &at[134]
363 #define TRIANGLES_v3 &at[135]
364 #define TRIANGLES_v3_E &at[136]
365 |
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