molstar 3.5.0 → 3.6.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (284) hide show
  1. package/build/viewer/index.html +1 -1
  2. package/build/viewer/molstar.js +1 -1
  3. package/build/viewer/molstar.js.LICENSE.txt +12 -14
  4. package/lib/apps/docking-viewer/index.js +1 -1
  5. package/lib/apps/viewer/app.js +1 -1
  6. package/lib/apps/viewer/index.html +1 -1
  7. package/lib/cli/chem-comp-dict/util.d.ts +20 -20
  8. package/lib/cli/cifschema/util/cif-dic.d.ts +1 -1
  9. package/lib/cli/cifschema/util/cif-dic.js +7 -5
  10. package/lib/cli/cifschema/util/generate.d.ts +1 -1
  11. package/lib/cli/cifschema/util/generate.js +12 -3
  12. package/lib/cli/cifschema/util/schema.d.ts +3 -3
  13. package/lib/cli/cifschema/util/schema.js +1 -1
  14. package/lib/commonjs/apps/docking-viewer/index.js +2 -2
  15. package/lib/commonjs/apps/viewer/app.js +2 -2
  16. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +20 -20
  17. package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +1 -1
  18. package/lib/commonjs/cli/cifschema/util/cif-dic.js +7 -5
  19. package/lib/commonjs/cli/cifschema/util/generate.d.ts +1 -1
  20. package/lib/commonjs/cli/cifschema/util/generate.js +12 -3
  21. package/lib/commonjs/cli/cifschema/util/schema.d.ts +3 -3
  22. package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
  23. package/lib/commonjs/examples/alpha-orbitals/index.js +2 -2
  24. package/lib/commonjs/examples/basic-wrapper/index.js +2 -2
  25. package/lib/commonjs/examples/lighting/index.js +2 -2
  26. package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
  27. package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
  28. package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
  29. package/lib/commonjs/extensions/cellpack/representation.d.ts +1 -0
  30. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  31. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
  32. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
  33. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
  34. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +2 -0
  35. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -0
  36. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  37. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  38. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
  39. package/lib/commonjs/mol-data/db/column.d.ts +10 -3
  40. package/lib/commonjs/mol-data/db/column.js +39 -17
  41. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
  42. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
  43. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
  44. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
  45. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
  46. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
  47. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
  48. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
  49. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
  50. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
  51. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  52. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  53. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
  54. package/lib/commonjs/mol-gl/shader/image.frag.js +2 -2
  55. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
  56. package/lib/commonjs/mol-gl/shader/lines.frag.js +2 -2
  57. package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
  58. package/lib/commonjs/mol-gl/shader/points.frag.js +2 -2
  59. package/lib/commonjs/mol-gl/shader/text.frag.d.ts +2 -2
  60. package/lib/commonjs/mol-gl/shader/text.frag.js +2 -2
  61. package/lib/commonjs/mol-gl/webgl/buffer.d.ts +2 -2
  62. package/lib/commonjs/mol-gl/webgl/buffer.js +12 -12
  63. package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
  64. package/lib/commonjs/mol-gl/webgl/program.js +10 -4
  65. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +8 -8
  66. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +12 -11
  67. package/lib/commonjs/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
  68. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +12 -12
  69. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +13 -12
  70. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
  71. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  72. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +30 -26
  73. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +44 -39
  74. package/lib/commonjs/mol-io/reader/cif/schema.d.ts +1 -1
  75. package/lib/commonjs/mol-io/reader/cif/schema.js +22 -2
  76. package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
  77. package/lib/commonjs/mol-model/structure/model/model.js +14 -6
  78. package/lib/commonjs/mol-model/structure/model/properties/common.js +1 -1
  79. package/lib/commonjs/mol-model/structure/model/types.d.ts +19 -17
  80. package/lib/commonjs/mol-model/structure/model/types.js +30 -31
  81. package/lib/commonjs/mol-model/structure/query/queries/generators.js +1 -1
  82. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -1
  83. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +2 -4
  84. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -3
  85. package/lib/commonjs/mol-model/structure/structure/unit/rings.js +3 -0
  86. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +2 -0
  87. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
  88. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
  89. package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +3 -3
  90. package/lib/commonjs/mol-model-formats/structure/common/component.js +46 -46
  91. package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.d.ts +2 -2
  92. package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.js +72 -7
  93. package/lib/commonjs/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
  94. package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +7 -2
  95. package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +1 -1
  96. package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
  97. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
  98. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
  99. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -0
  100. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
  101. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +3 -2
  102. package/lib/commonjs/mol-plugin/commands.d.ts +1 -0
  103. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -0
  104. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +6 -6
  105. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
  106. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +1 -1
  107. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +6 -0
  108. package/lib/commonjs/mol-plugin-ui/react18.d.ts +11 -0
  109. package/lib/commonjs/mol-plugin-ui/react18.js +38 -0
  110. package/lib/commonjs/mol-plugin-ui/structure/focus.d.ts +1 -1
  111. package/lib/commonjs/mol-plugin-ui/structure/focus.js +2 -2
  112. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +1 -0
  113. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +1 -0
  114. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +1 -0
  115. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -0
  116. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -0
  117. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +3 -0
  118. package/lib/commonjs/mol-repr/structure/params.d.ts +4 -0
  119. package/lib/commonjs/mol-repr/structure/registry.d.ts +10 -0
  120. package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -0
  121. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
  122. package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
  123. package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -0
  124. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
  125. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
  126. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
  127. package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -0
  128. package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -0
  129. package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -0
  130. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +4 -0
  131. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
  132. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
  133. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
  134. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
  135. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
  136. package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -0
  137. package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
  138. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +4 -0
  139. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
  140. package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
  141. package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
  142. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
  143. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
  144. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
  145. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
  146. package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
  147. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
  148. package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
  149. package/lib/commonjs/mol-repr/util.d.ts +2 -1
  150. package/lib/commonjs/mol-repr/util.js +2 -2
  151. package/lib/commonjs/mol-repr/volume/isosurface.d.ts +5 -0
  152. package/lib/commonjs/mol-repr/volume/registry.d.ts +1 -0
  153. package/lib/examples/alpha-orbitals/index.js +1 -1
  154. package/lib/examples/basic-wrapper/index.js +1 -1
  155. package/lib/examples/lighting/index.js +1 -1
  156. package/lib/examples/proteopedia-wrapper/index.js +1 -1
  157. package/lib/extensions/anvil/behavior.d.ts +1 -0
  158. package/lib/extensions/anvil/representation.d.ts +4 -0
  159. package/lib/extensions/cellpack/representation.d.ts +1 -0
  160. package/lib/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  161. package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
  162. package/lib/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
  163. package/lib/extensions/rcsb/validation-report/representation.d.ts +5 -0
  164. package/lib/mol-canvas3d/canvas3d.d.ts +2 -0
  165. package/lib/mol-canvas3d/helper/camera-helper.d.ts +1 -0
  166. package/lib/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  167. package/lib/mol-canvas3d/helper/helper.d.ts +2 -0
  168. package/lib/mol-canvas3d/passes/image.d.ts +1 -0
  169. package/lib/mol-data/db/column.d.ts +10 -3
  170. package/lib/mol-data/db/column.js +39 -18
  171. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
  172. package/lib/mol-geo/geometry/cylinders/cylinders.js +2 -2
  173. package/lib/mol-geo/geometry/mesh/mesh.d.ts +2 -1
  174. package/lib/mol-geo/geometry/mesh/mesh.js +2 -2
  175. package/lib/mol-geo/geometry/spheres/spheres.d.ts +2 -1
  176. package/lib/mol-geo/geometry/spheres/spheres.js +2 -2
  177. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
  178. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
  179. package/lib/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
  180. package/lib/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
  181. package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  182. package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
  183. package/lib/mol-gl/shader/image.frag.d.ts +2 -2
  184. package/lib/mol-gl/shader/image.frag.js +2 -2
  185. package/lib/mol-gl/shader/lines.frag.d.ts +2 -2
  186. package/lib/mol-gl/shader/lines.frag.js +2 -2
  187. package/lib/mol-gl/shader/points.frag.d.ts +2 -2
  188. package/lib/mol-gl/shader/points.frag.js +2 -2
  189. package/lib/mol-gl/shader/text.frag.d.ts +2 -2
  190. package/lib/mol-gl/shader/text.frag.js +2 -2
  191. package/lib/mol-gl/webgl/buffer.d.ts +2 -2
  192. package/lib/mol-gl/webgl/buffer.js +12 -12
  193. package/lib/mol-gl/webgl/program.d.ts +1 -1
  194. package/lib/mol-gl/webgl/program.js +10 -4
  195. package/lib/mol-io/reader/cif/schema/bird.d.ts +8 -8
  196. package/lib/mol-io/reader/cif/schema/bird.js +12 -11
  197. package/lib/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
  198. package/lib/mol-io/reader/cif/schema/ccd.d.ts +12 -12
  199. package/lib/mol-io/reader/cif/schema/ccd.js +13 -12
  200. package/lib/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
  201. package/lib/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  202. package/lib/mol-io/reader/cif/schema/mmcif.d.ts +30 -26
  203. package/lib/mol-io/reader/cif/schema/mmcif.js +44 -39
  204. package/lib/mol-io/reader/cif/schema.d.ts +1 -1
  205. package/lib/mol-io/reader/cif/schema.js +22 -2
  206. package/lib/mol-io/writer/mol/encoder.js +1 -1
  207. package/lib/mol-model/structure/model/model.js +14 -6
  208. package/lib/mol-model/structure/model/properties/common.js +1 -1
  209. package/lib/mol-model/structure/model/types.d.ts +19 -17
  210. package/lib/mol-model/structure/model/types.js +30 -31
  211. package/lib/mol-model/structure/query/queries/generators.js +1 -1
  212. package/lib/mol-model/structure/structure/properties.d.ts +1 -1
  213. package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +2 -4
  214. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -3
  215. package/lib/mol-model/structure/structure/unit/rings.js +3 -0
  216. package/lib/mol-model-formats/shape/ply.d.ts +2 -0
  217. package/lib/mol-model-formats/structure/basic/entities.js +1 -1
  218. package/lib/mol-model-formats/structure/basic/schema.d.ts +2 -2
  219. package/lib/mol-model-formats/structure/common/component.d.ts +3 -3
  220. package/lib/mol-model-formats/structure/common/component.js +46 -46
  221. package/lib/mol-model-formats/structure/pdb/atom-site.d.ts +2 -2
  222. package/lib/mol-model-formats/structure/pdb/atom-site.js +72 -7
  223. package/lib/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
  224. package/lib/mol-model-formats/structure/pdb/to-cif.js +7 -2
  225. package/lib/mol-model-formats/structure/property/bonds/chem_comp.js +1 -1
  226. package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
  227. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
  228. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
  229. package/lib/mol-model-props/computed/representations/interactions.d.ts +3 -0
  230. package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
  231. package/lib/mol-plugin/behavior/dynamic/volume-streaming/util.js +3 -2
  232. package/lib/mol-plugin/commands.d.ts +1 -0
  233. package/lib/mol-plugin/util/viewport-screenshot.d.ts +3 -0
  234. package/lib/mol-plugin/version.js +2 -2
  235. package/lib/mol-plugin-state/actions/structure.d.ts +6 -6
  236. package/lib/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
  237. package/lib/mol-plugin-state/helpers/structure-selection-query.js +1 -1
  238. package/lib/mol-plugin-state/transforms/representation.d.ts +6 -0
  239. package/lib/mol-plugin-ui/react18.d.ts +11 -0
  240. package/lib/mol-plugin-ui/react18.js +34 -0
  241. package/lib/mol-plugin-ui/structure/focus.d.ts +1 -1
  242. package/lib/mol-plugin-ui/structure/focus.js +2 -2
  243. package/lib/mol-repr/shape/loci/angle.d.ts +1 -0
  244. package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
  245. package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
  246. package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
  247. package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
  248. package/lib/mol-repr/structure/complex-visual.d.ts +3 -0
  249. package/lib/mol-repr/structure/params.d.ts +4 -0
  250. package/lib/mol-repr/structure/registry.d.ts +10 -0
  251. package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
  252. package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
  253. package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
  254. package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
  255. package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
  256. package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
  257. package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
  258. package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
  259. package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
  260. package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
  261. package/lib/mol-repr/structure/units-visual.d.ts +4 -0
  262. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
  263. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
  264. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
  265. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
  266. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
  267. package/lib/mol-repr/structure/visual/element-sphere.d.ts +2 -0
  268. package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
  269. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +4 -0
  270. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
  271. package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
  272. package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
  273. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
  274. package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
  275. package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
  276. package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
  277. package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
  278. package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
  279. package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
  280. package/lib/mol-repr/util.d.ts +2 -1
  281. package/lib/mol-repr/util.js +2 -2
  282. package/lib/mol-repr/volume/isosurface.d.ts +5 -0
  283. package/lib/mol-repr/volume/registry.d.ts +1 -0
  284. package/package.json +8 -6
@@ -1,7 +1,7 @@
1
1
  /**
2
- * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
- * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.356, IHM 1.17, MA 1.3.5.
4
+ * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.357, IHM 1.17, MA 1.3.6.
5
5
  *
6
6
  * @author molstar/ciftools package
7
7
  */
@@ -93,7 +93,7 @@ export declare const CCD_Schema: {
93
93
  * linking monomers, monomers with some type of N-terminal (or 5')
94
94
  * cap and monomers with some type of C-terminal (or 3') cap.
95
95
  */
96
- type: Schema.Aliased<"other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking">;
96
+ type: Schema.Aliased<"other" | "d-peptide linking" | "l-peptide linking" | "d-peptide nh3 amino terminus" | "l-peptide nh3 amino terminus" | "d-peptide cooh carboxy terminus" | "l-peptide cooh carboxy terminus" | "dna linking" | "rna linking" | "l-rna linking" | "l-dna linking" | "dna oh 5 prime terminus" | "rna oh 5 prime terminus" | "dna oh 3 prime terminus" | "rna oh 3 prime terminus" | "d-saccharide, beta linking" | "d-saccharide, alpha linking" | "l-saccharide, beta linking" | "l-saccharide, alpha linking" | "l-saccharide" | "d-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "l-gamma-peptide, c-delta linking" | "d-gamma-peptide, c-delta linking" | "l-beta-peptide, c-gamma linking" | "d-beta-peptide, c-gamma linking">;
97
97
  /**
98
98
  * Synonym list for the component.
99
99
  */
@@ -144,11 +144,11 @@ export declare const CCD_Schema: {
144
144
  /**
145
145
  * This data item identifies if ideal coordinates are missing in this definition.
146
146
  */
147
- pdbx_ideal_coordinates_missing_flag: Schema.Aliased<"N" | "Y">;
147
+ pdbx_ideal_coordinates_missing_flag: Schema.Aliased<"y" | "n">;
148
148
  /**
149
149
  * This data item identifies if model coordinates are missing in this definition.
150
150
  */
151
- pdbx_model_coordinates_missing_flag: Schema.Aliased<"N" | "Y">;
151
+ pdbx_model_coordinates_missing_flag: Schema.Aliased<"y" | "n">;
152
152
  /**
153
153
  * Date component was added to database.
154
154
  */
@@ -165,7 +165,7 @@ export declare const CCD_Schema: {
165
165
  * This data item identifies the deposition site that processed
166
166
  * this chemical component defintion.
167
167
  */
168
- pdbx_processing_site: Schema.Aliased<"RCSB" | "EBI" | "PDBE" | "PDBJ" | "PDBC">;
168
+ pdbx_processing_site: Schema.Aliased<"RCSB" | "PDBE" | "PDBJ" | "PDBC" | "EBI">;
169
169
  };
170
170
  /**
171
171
  * Data items in the CHEM_COMP_ATOM category record details about
@@ -269,15 +269,15 @@ export declare const CCD_Schema: {
269
269
  /**
270
270
  * The chiral configuration of the atom that is a chiral center.
271
271
  */
272
- pdbx_stereo_config: Schema.Aliased<"N" | "R" | "S">;
272
+ pdbx_stereo_config: Schema.Aliased<"s" | "r" | "n">;
273
273
  /**
274
274
  * A flag indicating an aromatic atom.
275
275
  */
276
- pdbx_aromatic_flag: Schema.Aliased<"N" | "Y">;
276
+ pdbx_aromatic_flag: Schema.Aliased<"y" | "n">;
277
277
  /**
278
278
  * A flag indicating a leaving atom.
279
279
  */
280
- pdbx_leaving_atom_flag: Schema.Aliased<"N" | "Y">;
280
+ pdbx_leaving_atom_flag: Schema.Aliased<"y" | "n">;
281
281
  };
282
282
  /**
283
283
  * Data items in the CHEM_COMP_BOND category record details about
@@ -318,11 +318,11 @@ export declare const CCD_Schema: {
318
318
  /**
319
319
  * Stereochemical configuration across a double bond.
320
320
  */
321
- pdbx_stereo_config: Schema.Aliased<"N" | "E" | "Z">;
321
+ pdbx_stereo_config: Schema.Aliased<"z" | "n" | "e">;
322
322
  /**
323
323
  * A flag indicating an aromatic bond.
324
324
  */
325
- pdbx_aromatic_flag: Schema.Aliased<"N" | "Y">;
325
+ pdbx_aromatic_flag: Schema.Aliased<"y" | "n">;
326
326
  };
327
327
  /**
328
328
  * Data items in the CHEM_COMP_DESCRIPTOR category provide
@@ -342,7 +342,7 @@ export declare const CCD_Schema: {
342
342
  /**
343
343
  * This data item contains the descriptor type.
344
344
  */
345
- type: Schema.Aliased<"SMILES_CANNONICAL" | "SMILES_CANONICAL" | "SMILES" | "InChI" | "InChI_MAIN" | "InChI_MAIN_FORMULA" | "InChI_MAIN_CONNECT" | "InChI_MAIN_HATOM" | "InChI_CHARGE" | "InChI_STEREO" | "InChI_ISOTOPE" | "InChI_FIXEDH" | "InChI_RECONNECT" | "InChIKey">;
345
+ type: Schema.Aliased<"smiles_cannonical" | "smiles_canonical" | "smiles" | "inchi" | "inchi_main" | "inchi_main_formula" | "inchi_main_connect" | "inchi_main_hatom" | "inchi_charge" | "inchi_stereo" | "inchi_isotope" | "inchi_fixedh" | "inchi_reconnect" | "inchikey">;
346
346
  /**
347
347
  * This data item contains the name of the program
348
348
  * or library used to compute the descriptor.
@@ -1,8 +1,8 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
- * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.356, IHM 1.17, MA 1.3.5.
5
+ * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.357, IHM 1.17, MA 1.3.6.
6
6
  *
7
7
  * @author molstar/ciftools package
8
8
  */
@@ -13,6 +13,7 @@ var Schema = db_1.Column.Schema;
13
13
  var str = Schema.str;
14
14
  var float = Schema.float;
15
15
  var List = Schema.List;
16
+ var lstr = Schema.lstr;
16
17
  var Aliased = Schema.Aliased;
17
18
  var int = Schema.int;
18
19
  var coord = Schema.coord;
@@ -102,7 +103,7 @@ exports.CCD_Schema = {
102
103
  * linking monomers, monomers with some type of N-terminal (or 5')
103
104
  * cap and monomers with some type of C-terminal (or 3') cap.
104
105
  */
105
- type: Aliased(str),
106
+ type: Aliased(lstr),
106
107
  /**
107
108
  * Synonym list for the component.
108
109
  */
@@ -153,11 +154,11 @@ exports.CCD_Schema = {
153
154
  /**
154
155
  * This data item identifies if ideal coordinates are missing in this definition.
155
156
  */
156
- pdbx_ideal_coordinates_missing_flag: Aliased(str),
157
+ pdbx_ideal_coordinates_missing_flag: Aliased(lstr),
157
158
  /**
158
159
  * This data item identifies if model coordinates are missing in this definition.
159
160
  */
160
- pdbx_model_coordinates_missing_flag: Aliased(str),
161
+ pdbx_model_coordinates_missing_flag: Aliased(lstr),
161
162
  /**
162
163
  * Date component was added to database.
163
164
  */
@@ -278,15 +279,15 @@ exports.CCD_Schema = {
278
279
  /**
279
280
  * The chiral configuration of the atom that is a chiral center.
280
281
  */
281
- pdbx_stereo_config: Aliased(str),
282
+ pdbx_stereo_config: Aliased(lstr),
282
283
  /**
283
284
  * A flag indicating an aromatic atom.
284
285
  */
285
- pdbx_aromatic_flag: Aliased(str),
286
+ pdbx_aromatic_flag: Aliased(lstr),
286
287
  /**
287
288
  * A flag indicating a leaving atom.
288
289
  */
289
- pdbx_leaving_atom_flag: Aliased(str),
290
+ pdbx_leaving_atom_flag: Aliased(lstr),
290
291
  },
291
292
  /**
292
293
  * Data items in the CHEM_COMP_BOND category record details about
@@ -319,7 +320,7 @@ exports.CCD_Schema = {
319
320
  * bond associated with the specified atoms, expressed as a bond
320
321
  * order.
321
322
  */
322
- value_order: Aliased(str),
323
+ value_order: Aliased(lstr),
323
324
  /**
324
325
  * Ordinal index for the component bond list.
325
326
  */
@@ -327,11 +328,11 @@ exports.CCD_Schema = {
327
328
  /**
328
329
  * Stereochemical configuration across a double bond.
329
330
  */
330
- pdbx_stereo_config: Aliased(str),
331
+ pdbx_stereo_config: Aliased(lstr),
331
332
  /**
332
333
  * A flag indicating an aromatic bond.
333
334
  */
334
- pdbx_aromatic_flag: Aliased(str),
335
+ pdbx_aromatic_flag: Aliased(lstr),
335
336
  },
336
337
  /**
337
338
  * Data items in the CHEM_COMP_DESCRIPTOR category provide
@@ -351,7 +352,7 @@ exports.CCD_Schema = {
351
352
  /**
352
353
  * This data item contains the descriptor type.
353
354
  */
354
- type: Aliased(str),
355
+ type: Aliased(lstr),
355
356
  /**
356
357
  * This data item contains the name of the program
357
358
  * or library used to compute the descriptor.
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -23,12 +23,12 @@ export declare const mmCIF_chemCompBond_schema: {
23
23
  comp_id: Column.Schema.Str;
24
24
  value_order: Column.Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
25
25
  pdbx_ordinal: Column.Schema.Int;
26
- pdbx_stereo_config: Column.Schema.Aliased<"N" | "E" | "Z">;
27
- pdbx_aromatic_flag: Column.Schema.Aliased<"N" | "Y">;
26
+ pdbx_stereo_config: Column.Schema.Aliased<"z" | "n" | "e">;
27
+ pdbx_aromatic_flag: Column.Schema.Aliased<"y" | "n">;
28
28
  };
29
- /** Has `type` extended with 'Ion' and 'Lipid' */
29
+ /** Has `type` extended with 'ION' and 'LIPID' */
30
30
  export declare const mmCIF_chemComp_schema: {
31
- type: Column.Schema.Aliased<"other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "Ion" | "Lipid">;
31
+ type: Column.Schema.Aliased<"other" | "d-peptide linking" | "l-peptide linking" | "d-peptide nh3 amino terminus" | "l-peptide nh3 amino terminus" | "d-peptide cooh carboxy terminus" | "l-peptide cooh carboxy terminus" | "dna linking" | "rna linking" | "l-rna linking" | "l-dna linking" | "dna oh 5 prime terminus" | "rna oh 5 prime terminus" | "dna oh 3 prime terminus" | "rna oh 3 prime terminus" | "d-saccharide, beta linking" | "d-saccharide, alpha linking" | "l-saccharide, beta linking" | "l-saccharide, alpha linking" | "l-saccharide" | "d-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "l-gamma-peptide, c-delta linking" | "d-gamma-peptide, c-delta linking" | "l-beta-peptide, c-gamma linking" | "d-beta-peptide, c-gamma linking" | "ion" | "lipid">;
32
32
  formula: Column.Schema.Str;
33
33
  formula_weight: Column.Schema.Float;
34
34
  id: Column.Schema.Str;
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author David Sehnal <david.sehnal@gmail.com>
6
6
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -23,5 +23,5 @@ exports.mmCIF_residueId_schema = {
23
23
  exports.mmCIF_chemCompBond_schema = tslib_1.__assign(tslib_1.__assign({}, mmcif_1.mmCIF_Schema.chem_comp_bond), {
24
24
  /** Indicates if the bond entry was taken from the protonation variant dictionary */
25
25
  molstar_protonation_variant: db_1.Column.Schema.Str() });
26
- /** Has `type` extended with 'Ion' and 'Lipid' */
26
+ /** Has `type` extended with 'ION' and 'LIPID' */
27
27
  exports.mmCIF_chemComp_schema = tslib_1.__assign(tslib_1.__assign({}, mmcif_1.mmCIF_Schema.chem_comp), { type: db_1.Column.Schema.Aliased(db_1.Column.Schema.str) });
@@ -1,7 +1,7 @@
1
1
  /**
2
- * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
- * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.356, IHM 1.17, MA 1.3.5.
4
+ * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.357, IHM 1.17, MA 1.3.6.
5
5
  *
6
6
  * @author molstar/ciftools package
7
7
  */
@@ -511,7 +511,7 @@ export declare const mmCIF_Schema: {
511
511
  * linking monomers, monomers with some type of N-terminal (or 5')
512
512
  * cap and monomers with some type of C-terminal (or 3') cap.
513
513
  */
514
- type: Schema.Aliased<"other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking">;
514
+ type: Schema.Aliased<"other" | "d-peptide linking" | "l-peptide linking" | "d-peptide nh3 amino terminus" | "l-peptide nh3 amino terminus" | "d-peptide cooh carboxy terminus" | "l-peptide cooh carboxy terminus" | "dna linking" | "rna linking" | "l-rna linking" | "l-dna linking" | "dna oh 5 prime terminus" | "rna oh 5 prime terminus" | "dna oh 3 prime terminus" | "rna oh 3 prime terminus" | "d-saccharide, beta linking" | "d-saccharide, alpha linking" | "l-saccharide, beta linking" | "l-saccharide, alpha linking" | "l-saccharide" | "d-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "l-gamma-peptide, c-delta linking" | "d-gamma-peptide, c-delta linking" | "l-beta-peptide, c-gamma linking" | "d-beta-peptide, c-gamma linking">;
515
515
  /**
516
516
  * Synonym list for the component.
517
517
  */
@@ -556,11 +556,11 @@ export declare const mmCIF_Schema: {
556
556
  /**
557
557
  * Stereochemical configuration across a double bond.
558
558
  */
559
- pdbx_stereo_config: Schema.Aliased<"N" | "E" | "Z">;
559
+ pdbx_stereo_config: Schema.Aliased<"z" | "n" | "e">;
560
560
  /**
561
561
  * A flag indicating an aromatic bond.
562
562
  */
563
- pdbx_aromatic_flag: Schema.Aliased<"N" | "Y">;
563
+ pdbx_aromatic_flag: Schema.Aliased<"y" | "n">;
564
564
  };
565
565
  /**
566
566
  * Data items in the CITATION category record details about the
@@ -692,7 +692,7 @@ export declare const mmCIF_Schema: {
692
692
  /**
693
693
  * An abbreviation that identifies the database.
694
694
  */
695
- database_id: Schema.Aliased<"AlphaFoldDB" | "CAS" | "CSD" | "EMDB" | "ICSD" | "ModelArchive" | "MDF" | "MODBASE" | "NDB" | "NBS" | "PDB" | "PDF" | "RCSB" | "SWISS-MODEL_REPOSITORY" | "EBI" | "PDBE" | "BMRB" | "WWPDB" | "PDB_ACC">;
695
+ database_id: Schema.Aliased<"alphafolddb" | "cas" | "csd" | "emdb" | "icsd" | "modelarchive" | "mdf" | "modbase" | "ndb" | "nbs" | "pdb" | "pdf" | "rcsb" | "swiss-model_repository" | "ebi" | "pdbe" | "bmrb" | "wwpdb" | "pdb_acc">;
696
696
  /**
697
697
  * The code assigned by the database identified in
698
698
  * _database_2.database_id.
@@ -882,6 +882,10 @@ export declare const mmCIF_Schema: {
882
882
  * parent is not specified. Deoxynucleotides are
883
883
  * represented by their canonical one-letter codes of A,
884
884
  * C, G, or T.
885
+ *
886
+ * For modifications with several parent amino acids,
887
+ * all corresponding parent amino acid codes will be listed
888
+ * (ex. chromophores).
885
889
  */
886
890
  pdbx_seq_one_letter_code_can: Schema.Str;
887
891
  /**
@@ -1107,7 +1111,7 @@ export declare const mmCIF_Schema: {
1107
1111
  * This data item is a pointer to _struct_conf_type.id in the
1108
1112
  * STRUCT_CONF_TYPE category.
1109
1113
  */
1110
- conf_type_id: Schema.Aliased<"BEND" | "HELX_P" | "HELX_OT_P" | "HELX_RH_P" | "HELX_RH_OT_P" | "HELX_RH_AL_P" | "HELX_RH_GA_P" | "HELX_RH_OM_P" | "HELX_RH_PI_P" | "HELX_RH_27_P" | "HELX_RH_3T_P" | "HELX_RH_PP_P" | "HELX_LH_P" | "HELX_LH_OT_P" | "HELX_LH_AL_P" | "HELX_LH_GA_P" | "HELX_LH_OM_P" | "HELX_LH_PI_P" | "HELX_LH_27_P" | "HELX_LH_3T_P" | "HELX_LH_PP_P" | "HELX_N" | "HELX_OT_N" | "HELX_RH_N" | "HELX_RH_OT_N" | "HELX_RH_A_N" | "HELX_RH_B_N" | "HELX_RH_Z_N" | "HELX_LH_N" | "HELX_LH_OT_N" | "HELX_LH_A_N" | "HELX_LH_B_N" | "HELX_LH_Z_N" | "TURN_P" | "TURN_OT_P" | "TURN_TY1_P" | "TURN_TY1P_P" | "TURN_TY2_P" | "TURN_TY2P_P" | "TURN_TY3_P" | "TURN_TY3P_P" | "STRN" | "OTHER">;
1114
+ conf_type_id: Schema.Aliased<"other" | "bend" | "helx_p" | "helx_ot_p" | "helx_rh_p" | "helx_rh_ot_p" | "helx_rh_al_p" | "helx_rh_ga_p" | "helx_rh_om_p" | "helx_rh_pi_p" | "helx_rh_27_p" | "helx_rh_3t_p" | "helx_rh_pp_p" | "helx_lh_p" | "helx_lh_ot_p" | "helx_lh_al_p" | "helx_lh_ga_p" | "helx_lh_om_p" | "helx_lh_pi_p" | "helx_lh_27_p" | "helx_lh_3t_p" | "helx_lh_pp_p" | "helx_n" | "helx_ot_n" | "helx_rh_n" | "helx_rh_ot_n" | "helx_rh_a_n" | "helx_rh_b_n" | "helx_rh_z_n" | "helx_lh_n" | "helx_lh_ot_n" | "helx_lh_a_n" | "helx_lh_b_n" | "helx_lh_z_n" | "turn_p" | "turn_ot_p" | "turn_ty1_p" | "turn_ty1p_p" | "turn_ty2_p" | "turn_ty2p_p" | "turn_ty3_p" | "turn_ty3p_p" | "strn">;
1111
1115
  /**
1112
1116
  * A description of special aspects of the conformation assignment.
1113
1117
  */
@@ -1856,11 +1860,11 @@ export declare const mmCIF_Schema: {
1856
1860
  * This code indicates whether the entry belongs to
1857
1861
  * Structural Genomics Project.
1858
1862
  */
1859
- SG_entry: Schema.Aliased<"N" | "Y">;
1863
+ SG_entry: Schema.Aliased<"y" | "n">;
1860
1864
  /**
1861
1865
  * The site where the file was deposited.
1862
1866
  */
1863
- deposit_site: Schema.Aliased<"NDB" | "RCSB" | "PDBE" | "BMRB" | "PDBJ" | "BNL" | "PDBC">;
1867
+ deposit_site: Schema.Aliased<"NDB" | "RCSB" | "PDBE" | "PDBJ" | "BMRB" | "BNL" | "PDBC">;
1864
1868
  /**
1865
1869
  * The site where the file was deposited.
1866
1870
  */
@@ -1880,7 +1884,7 @@ export declare const mmCIF_Schema: {
1880
1884
  * A value of 'N' indicates that the no PDB format data file is
1881
1885
  * corresponding to this entry is available in the PDB archive.
1882
1886
  */
1883
- pdb_format_compatible: Schema.Aliased<"N" | "Y">;
1887
+ pdb_format_compatible: Schema.Aliased<"y" | "n">;
1884
1888
  };
1885
1889
  /**
1886
1890
  * The PDBX_NONPOLY_SCHEME category provides residue level nomenclature
@@ -1985,7 +1989,7 @@ export declare const mmCIF_Schema: {
1985
1989
  /**
1986
1990
  * The provenance of this synonym.
1987
1991
  */
1988
- provenance: Schema.Aliased<"PDB" | "AUTHOR" | "DRUGBANK" | "CHEBI" | "CHEMBL" | "PUBCHEM">;
1992
+ provenance: Schema.Aliased<"AUTHOR" | "DRUGBANK" | "CHEBI" | "CHEMBL" | "PDB" | "PUBCHEM">;
1989
1993
  };
1990
1994
  /**
1991
1995
  * Data items in the CHEM_COMP_IDENTIFIER category provide
@@ -2033,7 +2037,7 @@ export declare const mmCIF_Schema: {
2033
2037
  * The value of polymer flag indicates whether the unobserved or
2034
2038
  * zero occupancy residue is part of a polymer chain or not
2035
2039
  */
2036
- polymer_flag: Schema.Aliased<"N" | "Y">;
2040
+ polymer_flag: Schema.Aliased<"y" | "n">;
2037
2041
  /**
2038
2042
  * The value of occupancy flag indicates whether the residue
2039
2043
  * is unobserved (= 1) or the coordinates have an occupancy of zero (=0)
@@ -2502,11 +2506,11 @@ export declare const mmCIF_Schema: {
2502
2506
  /**
2503
2507
  * Broadly defines the function of the molecule.
2504
2508
  */
2505
- class: Schema.Aliased<"Antagonist" | "Antibiotic" | "Anticancer" | "Anticoagulant" | "Antifungal" | "Antigen" | "Antiinflammatory" | "Antimicrobial" | "Antineoplastic" | "Antiparasitic" | "Antiretroviral" | "Anthelmintic" | "Antithrombotic" | "Antitumor" | "Antiviral" | "CASPASE inhibitor" | "Chaperone binding" | "Enzyme inhibitor" | "Drug delivery" | "Glycan component" | "Growth factor" | "Immunosuppressant" | "Inducer" | "Inhibitor" | "Lantibiotic" | "Metabolism" | "Metal transport" | "Nutrient" | "Oxidation-reduction" | "Protein binding" | "Receptor" | "Substrate analog" | "Synthetic opioid" | "Thrombin inhibitor" | "Transition state mimetic" | "Transport activator" | "Trypsin inhibitor" | "Toxin" | "Unknown" | "Water retention" | "Anticoagulant, Antithrombotic" | "Antibiotic, Antimicrobial" | "Antibiotic, Anthelmintic" | "Antibiotic, Antineoplastic" | "Antimicrobial, Antiretroviral" | "Antimicrobial, Antitumor" | "Antimicrobial, Antiparasitic, Antibiotic" | "Thrombin inhibitor, Trypsin inhibitor">;
2509
+ class: Schema.Aliased<"unknown" | "antagonist" | "antibiotic" | "anticancer" | "anticoagulant" | "antifungal" | "antigen" | "antiinflammatory" | "antimicrobial" | "antineoplastic" | "antiparasitic" | "antiretroviral" | "anthelmintic" | "antithrombotic" | "antitumor" | "antiviral" | "caspase inhibitor" | "chaperone binding" | "enzyme inhibitor" | "drug delivery" | "glycan component" | "growth factor" | "immunosuppressant" | "inducer" | "inhibitor" | "lantibiotic" | "metabolism" | "metal transport" | "nutrient" | "oxidation-reduction" | "protein binding" | "receptor" | "substrate analog" | "synthetic opioid" | "thrombin inhibitor" | "transition state mimetic" | "transport activator" | "trypsin inhibitor" | "toxin" | "water retention" | "anticoagulant, antithrombotic" | "antibiotic, antimicrobial" | "antibiotic, anthelmintic" | "antibiotic, antineoplastic" | "antimicrobial, antiretroviral" | "antimicrobial, antitumor" | "antimicrobial, antiparasitic, antibiotic" | "thrombin inhibitor, trypsin inhibitor">;
2506
2510
  /**
2507
2511
  * Defines the structural classification of the molecule.
2508
2512
  */
2509
- type: Schema.Aliased<"Unknown" | "Amino acid" | "Aminoglycoside" | "Anthracycline" | "Anthraquinone" | "Ansamycin" | "Chalkophore" | "Chromophore" | "Glycopeptide" | "Cyclic depsipeptide" | "Cyclic lipopeptide" | "Cyclic peptide" | "Heterocyclic" | "Imino sugar" | "Keto acid" | "Lipoglycopeptide" | "Lipopeptide" | "Macrolide" | "Non-polymer" | "Nucleoside" | "Oligopeptide" | "Oligosaccharide" | "Peptaibol" | "Peptide-like" | "Polycyclic" | "Polypeptide" | "Polysaccharide" | "Quinolone" | "Thiolactone" | "Thiopeptide" | "Siderophore" | "Chalkophore, Polypeptide">;
2513
+ type: Schema.Aliased<"unknown" | "non-polymer" | "peptide-like" | "macrolide" | "amino acid" | "aminoglycoside" | "anthracycline" | "anthraquinone" | "ansamycin" | "chalkophore" | "chromophore" | "glycopeptide" | "cyclic depsipeptide" | "cyclic lipopeptide" | "cyclic peptide" | "heterocyclic" | "imino sugar" | "keto acid" | "lipoglycopeptide" | "lipopeptide" | "nucleoside" | "oligopeptide" | "oligosaccharide" | "peptaibol" | "polycyclic" | "polypeptide" | "polysaccharide" | "quinolone" | "thiolactone" | "thiopeptide" | "siderophore" | "chalkophore, polypeptide">;
2510
2514
  /**
2511
2515
  * A name of the molecule.
2512
2516
  */
@@ -2653,7 +2657,7 @@ export declare const mmCIF_Schema: {
2653
2657
  /**
2654
2658
  * This data item contains the descriptor type.
2655
2659
  */
2656
- type: Schema.Aliased<"LINUCS" | "Glycam Condensed Sequence" | "Glycam Condensed Core Sequence" | "WURCS">;
2660
+ type: Schema.Aliased<"linucs" | "glycam condensed sequence" | "glycam condensed core sequence" | "wurcs">;
2657
2661
  /**
2658
2662
  * This data item contains the name of the program
2659
2663
  * or library used to compute the descriptor.
@@ -2681,7 +2685,7 @@ export declare const mmCIF_Schema: {
2681
2685
  /**
2682
2686
  * A feature type associated with entity instance.
2683
2687
  */
2684
- feature_type: Schema.Aliased<"OTHER" | "SUBJECT OF INVESTIGATION" | "NO FUNCTIONAL ROLE">;
2688
+ feature_type: Schema.Aliased<"SUBJECT OF INVESTIGATION" | "NO FUNCTIONAL ROLE" | "OTHER">;
2685
2689
  /**
2686
2690
  * Author instance identifier (formerly PDB Chain ID)
2687
2691
  */
@@ -2800,7 +2804,7 @@ export declare const mmCIF_Schema: {
2800
2804
  /**
2801
2805
  * The chiral configuration of the first atom making the linkage.
2802
2806
  */
2803
- atom_stereo_config_1: Schema.Aliased<"N" | "R" | "S">;
2807
+ atom_stereo_config_1: Schema.Aliased<"s" | "r" | "n">;
2804
2808
  /**
2805
2809
  * The atom identifier/name for the second atom making the linkage.
2806
2810
  */
@@ -2812,7 +2816,7 @@ export declare const mmCIF_Schema: {
2812
2816
  /**
2813
2817
  * The chiral configuration of the second atom making the linkage.
2814
2818
  */
2815
- atom_stereo_config_2: Schema.Aliased<"N" | "R" | "S">;
2819
+ atom_stereo_config_2: Schema.Aliased<"s" | "r" | "n">;
2816
2820
  /**
2817
2821
  * The bond order target for the chemical linkage.
2818
2822
  */
@@ -3320,15 +3324,15 @@ export declare const mmCIF_Schema: {
3320
3324
  /**
3321
3325
  * A flag to indicate if the modeling is multi scale.
3322
3326
  */
3323
- multi_scale_flag: Schema.Aliased<"YES" | "NO">;
3327
+ multi_scale_flag: Schema.Aliased<"yes" | "no">;
3324
3328
  /**
3325
3329
  * A flag to indicate if the modeling is multi state.
3326
3330
  */
3327
- multi_state_flag: Schema.Aliased<"YES" | "NO">;
3331
+ multi_state_flag: Schema.Aliased<"yes" | "no">;
3328
3332
  /**
3329
3333
  * A flag to indicate if the modeling involves an ensemble ordered by time or other order.
3330
3334
  */
3331
- ordered_flag: Schema.Aliased<"YES" | "NO">;
3335
+ ordered_flag: Schema.Aliased<"yes" | "no">;
3332
3336
  /**
3333
3337
  * The file id corresponding to the script used in the modeling protocol step.
3334
3338
  * This data item is a pointer to _ihm_external_files.id in the IHM_EXTERNAL_FILES category.
@@ -3617,7 +3621,7 @@ export declare const mmCIF_Schema: {
3617
3621
  * A flag that indicates whether the dataset is archived in
3618
3622
  * an IHM related database or elsewhere.
3619
3623
  */
3620
- database_hosted: Schema.Aliased<"YES" | "NO">;
3624
+ database_hosted: Schema.Aliased<"yes" | "no">;
3621
3625
  };
3622
3626
  /**
3623
3627
  * Category to define groups or collections of input datasets.
@@ -3694,7 +3698,7 @@ export declare const mmCIF_Schema: {
3694
3698
  /**
3695
3699
  * The name of the database containing the dataset entry.
3696
3700
  */
3697
- db_name: Schema.Aliased<"EMDB" | "PDB" | "BMRB" | "Other" | "PDB-Dev" | "EMPIAR" | "SASBDB" | "PRIDE" | "MODEL ARCHIVE" | "MASSIVE" | "BioGRID" | "ProXL">;
3701
+ db_name: Schema.Aliased<"BMRB" | "PDB" | "Other" | "PDB-Dev" | "EMDB" | "EMPIAR" | "SASBDB" | "PRIDE" | "MODEL ARCHIVE" | "MASSIVE" | "BioGRID" | "ProXL">;
3698
3702
  /**
3699
3703
  * The accession code for the database entry.
3700
3704
  */
@@ -4224,7 +4228,7 @@ export declare const mmCIF_Schema: {
4224
4228
  * whether the whole image is used or only a portion of it is used (by masking
4225
4229
  * or by other means) as restraint in the modeling.
4226
4230
  */
4227
- image_segment_flag: Schema.Aliased<"YES" | "NO">;
4231
+ image_segment_flag: Schema.Aliased<"yes" | "no">;
4228
4232
  /**
4229
4233
  * Number of 2D projections of the model used in the fitting.
4230
4234
  */
@@ -4377,7 +4381,7 @@ export declare const mmCIF_Schema: {
4377
4381
  * whether the whole SAS profile is used or only a portion of it is used
4378
4382
  * (by masking or by other means) as restraint in the modeling.
4379
4383
  */
4380
- profile_segment_flag: Schema.Aliased<"YES" | "NO">;
4384
+ profile_segment_flag: Schema.Aliased<"yes" | "no">;
4381
4385
  /**
4382
4386
  * The type of atoms in the model fit to the SAS data.
4383
4387
  */
@@ -4971,7 +4975,7 @@ export declare const mmCIF_Schema: {
4971
4975
  /**
4972
4976
  * The type of QA metric.
4973
4977
  */
4974
- type: Schema.Aliased<"other" | "zscore" | "energy" | "distance" | "normalized score" | "pLDDT" | "PAE" | "contact probability">;
4978
+ type: Schema.Aliased<"other" | "zscore" | "energy" | "distance" | "normalized score" | "pLDDT" | "pLDDT in [0,1]" | "pLDDT all-atom" | "pLDDT all-atom in [0,1]" | "PAE" | "pTM" | "ipTM" | "contact probability">;
4975
4979
  /**
4976
4980
  * The mode of calculation of the QA metric.
4977
4981
  */