@datagrok/bio 2.27.2 → 2.27.4

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Files changed (57) hide show
  1. package/CLAUDE.md +50 -0
  2. package/agents/package-knowledge.yaml +53 -0
  3. package/dist/455.js +1 -1
  4. package/dist/455.js.map +1 -1
  5. package/dist/682.js +1 -1
  6. package/dist/682.js.map +1 -1
  7. package/dist/705.js +1 -1
  8. package/dist/705.js.map +1 -1
  9. package/dist/909.js +2 -0
  10. package/dist/909.js.map +1 -0
  11. package/dist/immunum_bg.wasm +0 -0
  12. package/dist/package-test.js +3 -3
  13. package/dist/package-test.js.map +1 -1
  14. package/dist/package.js +3 -3
  15. package/dist/package.js.map +1 -1
  16. package/package.json +4 -2
  17. package/src/demo/bio01b-hierarchical-clustering-and-activity-cliffs.ts +24 -11
  18. package/src/package-api.ts +15 -1
  19. package/src/package-test.ts +1 -0
  20. package/src/package.g.ts +12 -1
  21. package/src/package.ts +22 -4
  22. package/src/tests/antibody-numbering-tests.ts +190 -0
  23. package/src/tests/detectors-tests.ts +5 -1
  24. package/src/tests/splitters-test.ts +8 -4
  25. package/src/tests/to-atomic-level-tests.ts +144 -0
  26. package/src/utils/annotations/numbering-ui.ts +34 -90
  27. package/src/utils/antibody-numbering/immunum-client.ts +45 -0
  28. package/src/utils/antibody-numbering/immunum-glue.js +275 -0
  29. package/src/utils/antibody-numbering/immunum.worker.ts +159 -0
  30. package/src/utils/antibody-numbering/number-antibody.ts +105 -0
  31. package/src/utils/antibody-numbering/types.ts +48 -0
  32. package/src/utils/seq-helper/seq-handler.ts +25 -9
  33. package/test-console-output-1.log +582 -485
  34. package/test-record-1.mp4 +0 -0
  35. package/webpack.config.js +13 -0
  36. package/dist/282.js +0 -2
  37. package/dist/282.js.map +0 -1
  38. package/dist/287.js +0 -2
  39. package/dist/287.js.map +0 -1
  40. package/dist/422.js +0 -2
  41. package/dist/422.js.map +0 -1
  42. package/dist/767.js +0 -2
  43. package/dist/767.js.map +0 -1
  44. package/src/utils/antibody-numbering (WIP)/alignment.ts +0 -578
  45. package/src/utils/antibody-numbering (WIP)/annotator.ts +0 -120
  46. package/src/utils/antibody-numbering (WIP)/data/blosum62.ts +0 -55
  47. package/src/utils/antibody-numbering (WIP)/data/consensus-aho.ts +0 -155
  48. package/src/utils/antibody-numbering (WIP)/data/consensus-imgt.ts +0 -162
  49. package/src/utils/antibody-numbering (WIP)/data/consensus-kabat.ts +0 -157
  50. package/src/utils/antibody-numbering (WIP)/data/consensus-martin.ts +0 -152
  51. package/src/utils/antibody-numbering (WIP)/data/consensus.ts +0 -36
  52. package/src/utils/antibody-numbering (WIP)/data/regions.ts +0 -63
  53. package/src/utils/antibody-numbering (WIP)/index.ts +0 -31
  54. package/src/utils/antibody-numbering (WIP)/testdata.ts +0 -5356
  55. package/src/utils/antibody-numbering (WIP)/types.ts +0 -69
  56. /package/dist/{8473fcbfb6e85ca6c852.wasm → wasmCluster.wasm} +0 -0
  57. /package/dist/{9a8fbf37666e32487835.wasm → wasmDbscan.wasm} +0 -0
@@ -1,69 +0,0 @@
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- /** Supported numbering schemes */
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- export type Scheme = 'imgt' | 'kabat' | 'chothia' | 'aho';
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-
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- /** Antibody chain types */
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- export type ChainType = 'H' | 'K' | 'L';
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-
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- /** Human-readable chain group */
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- export type ChainGroup = 'Heavy' | 'Light';
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-
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- /** A single numbered position with its amino acid */
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- export interface NumberingEntry {
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- /** Position code (e.g. "1", "27A", "111A") */
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- position: string;
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- /** Single-letter amino acid at this position */
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- aa: string;
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- }
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-
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- /** Region annotation for a numbered antibody */
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- export interface RegionAnnotation {
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- id: string;
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- name: string;
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- description: string;
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- start: string;
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- end: string;
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- visualType: 'region';
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- category: 'structure';
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- sourceScheme: string;
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- autoGenerated: boolean;
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- }
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-
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- /** Result of numbering a single antibody sequence */
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- export interface NumberingResult {
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- /** Comma-separated position names for each numbered residue */
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- positionNames: string;
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- /** Chain type: 'Heavy' or 'Light' */
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- chainType: ChainGroup;
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- /** Chain type code: 'H', 'K', or 'L' */
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- chainTypeCode: ChainType | '';
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- /** Region annotations as structured objects */
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- annotations: RegionAnnotation[];
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- /** Detailed numbering: position -> amino acid */
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- numberingDetail: NumberingEntry[];
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- /** Map from position code to character index in the original sequence */
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- numberingMap: Record<string, number>;
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- /** Percent identity of the alignment (0-1) */
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- percentIdentity: number;
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- /** Error message if numbering failed, empty string otherwise */
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- error: string;
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- /**
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- * Full numbering array aligned to input sequence.
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- * Each element is a position code or '-' for residues outside the variable region.
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- */
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- numbering: string[];
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- }
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-
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- /** Consensus profile: for each position, which amino acids are expected */
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- export type ConsensusProfile = Map<number, string[]>;
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-
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- /** Internal alignment result */
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- export interface AlignmentResult {
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- /** Position code for each residue in the input, or '-' */
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- numbering: string[];
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- /** Percent identity */
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- percentIdentity: number;
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- /** Detected chain type */
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- chainType: ChainType;
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- /** Error message or empty string */
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- error: string;
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- }