p2s_mapper 2.0.0 → 2.1.0

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 (87) hide show
  1. package/README.md +37 -38
  2. package/dist/alignmentQuality.d.ts +5 -5
  3. package/dist/alphaFoldModels.d.ts +4 -4
  4. package/dist/alphaFoldModels.js +4 -4
  5. package/dist/chooseMappedEntity.d.ts +11 -13
  6. package/dist/chooseMappedEntity.js +9 -12
  7. package/dist/chooseMappedEntity.js.map +1 -1
  8. package/dist/coordinates.d.ts +11 -13
  9. package/dist/coordinates.js.map +1 -1
  10. package/dist/extractStructureSequences.d.ts +21 -28
  11. package/dist/extractStructureSequences.js +2 -2
  12. package/dist/extractStructureSequences.js.map +1 -1
  13. package/dist/fetchUtils.d.ts +7 -7
  14. package/dist/fetchUtils.js +7 -7
  15. package/dist/isoformRanking.d.ts +1 -1
  16. package/dist/mappings.d.ts +9 -12
  17. package/dist/mappings.js +4 -5
  18. package/dist/mappings.js.map +1 -1
  19. package/dist/pairwiseAlignment.d.ts +4 -2
  20. package/dist/pairwiseAlignment.js +9 -7
  21. package/dist/pairwiseAlignment.js.map +1 -1
  22. package/dist/pdbUniProtMapping.d.ts +5 -6
  23. package/dist/pdbUniProtMapping.js +5 -6
  24. package/dist/pdbUniProtMapping.js.map +1 -1
  25. package/dist/structureFormat.d.ts +11 -18
  26. package/dist/structureFormat.js +4 -6
  27. package/dist/structureFormat.js.map +1 -1
  28. package/dist/structureSources.d.ts +1 -1
  29. package/dist/structureUrls.d.ts +11 -16
  30. package/dist/structureUrls.js +14 -23
  31. package/dist/structureUrls.js.map +1 -1
  32. package/dist/types.d.ts +2 -5
  33. package/dist/types.js +2 -5
  34. package/dist/types.js.map +1 -1
  35. package/dist/uniProtSearch.js +3 -8
  36. package/dist/uniProtSearch.js.map +1 -1
  37. package/esm/alignmentQuality.d.ts +5 -5
  38. package/esm/alphaFoldModels.d.ts +4 -4
  39. package/esm/alphaFoldModels.js +4 -4
  40. package/esm/chooseMappedEntity.d.ts +11 -13
  41. package/esm/chooseMappedEntity.js +9 -12
  42. package/esm/chooseMappedEntity.js.map +1 -1
  43. package/esm/coordinates.d.ts +11 -13
  44. package/esm/coordinates.js.map +1 -1
  45. package/esm/extractStructureSequences.d.ts +21 -28
  46. package/esm/extractStructureSequences.js +2 -2
  47. package/esm/extractStructureSequences.js.map +1 -1
  48. package/esm/fetchUtils.d.ts +7 -7
  49. package/esm/fetchUtils.js +7 -7
  50. package/esm/isoformRanking.d.ts +1 -1
  51. package/esm/mappings.d.ts +9 -12
  52. package/esm/mappings.js +4 -5
  53. package/esm/mappings.js.map +1 -1
  54. package/esm/pairwiseAlignment.d.ts +4 -2
  55. package/esm/pairwiseAlignment.js +7 -5
  56. package/esm/pairwiseAlignment.js.map +1 -1
  57. package/esm/pdbUniProtMapping.d.ts +5 -6
  58. package/esm/pdbUniProtMapping.js +5 -6
  59. package/esm/pdbUniProtMapping.js.map +1 -1
  60. package/esm/structureFormat.d.ts +11 -18
  61. package/esm/structureFormat.js +4 -6
  62. package/esm/structureFormat.js.map +1 -1
  63. package/esm/structureSources.d.ts +1 -1
  64. package/esm/structureUrls.d.ts +11 -16
  65. package/esm/structureUrls.js +14 -23
  66. package/esm/structureUrls.js.map +1 -1
  67. package/esm/types.d.ts +2 -5
  68. package/esm/types.js +2 -5
  69. package/esm/types.js.map +1 -1
  70. package/esm/uniProtSearch.js +3 -8
  71. package/esm/uniProtSearch.js.map +1 -1
  72. package/package.json +1 -1
  73. package/src/alignmentQuality.ts +5 -5
  74. package/src/alphaFoldModels.ts +4 -4
  75. package/src/chooseMappedEntity.ts +12 -15
  76. package/src/coordinates.ts +11 -13
  77. package/src/extractStructureSequences.ts +21 -28
  78. package/src/fetchUtils.ts +7 -7
  79. package/src/isoformRanking.ts +1 -1
  80. package/src/mappings.ts +9 -12
  81. package/src/pairwiseAlignment.ts +11 -8
  82. package/src/pdbUniProtMapping.ts +5 -6
  83. package/src/structureFormat.ts +11 -18
  84. package/src/structureSources.ts +1 -1
  85. package/src/structureUrls.ts +14 -23
  86. package/src/types.ts +2 -5
  87. package/src/uniProtSearch.ts +3 -8
@@ -1 +1 @@
1
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@@ -29,12 +29,11 @@ export interface SegmentEntity {
29
29
  chains: readonly string[];
30
30
  }
31
31
  /**
32
- * Picks the UniProt entry that describes a given entity, with its segments
33
- * narrowed to that entity. Only the entity the plugin has mapped to the
34
- * transcript is relevant — a heteromer maps each of its chains to a different
35
- * accession, and using the wrong one would silently annotate the wrong protein.
36
- * When several accessions cover the same entity (a chimeric construct) the one
37
- * contributing the most residues wins.
32
+ * Picks the UniProt entry for a given entity, with its segments narrowed to
33
+ * that entity. Pass the entity mapped to the transcript: a heteromer's chains
34
+ * align to different accessions, and the wrong one would annotate the wrong
35
+ * protein. When several accessions cover one entity (a chimeric construct), the
36
+ * one covering the most residues wins.
38
37
  */
39
38
  export declare function chooseUniProtMappingForEntity(mappings: UniProtStructureMapping[], entity: SegmentEntity | undefined): UniProtStructureMapping | undefined;
40
39
  /**
@@ -26,12 +26,11 @@ function segmentsForEntity(mapping, entity) {
26
26
  : entity.chains.includes(s.chainId)));
27
27
  }
28
28
  /**
29
- * Picks the UniProt entry that describes a given entity, with its segments
30
- * narrowed to that entity. Only the entity the plugin has mapped to the
31
- * transcript is relevant — a heteromer maps each of its chains to a different
32
- * accession, and using the wrong one would silently annotate the wrong protein.
33
- * When several accessions cover the same entity (a chimeric construct) the one
34
- * contributing the most residues wins.
29
+ * Picks the UniProt entry for a given entity, with its segments narrowed to
30
+ * that entity. Pass the entity mapped to the transcript: a heteromer's chains
31
+ * align to different accessions, and the wrong one would annotate the wrong
32
+ * protein. When several accessions cover one entity (a chimeric construct), the
33
+ * one covering the most residues wins.
35
34
  */
36
35
  export function chooseUniProtMappingForEntity(mappings, entity) {
37
36
  if (entity === undefined) {
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"pdbUniProtMapping.js","sourceRoot":"","sources":["../src/pdbUniProtMapping.ts"],"names":[],"mappings":"AAAA,mCAAmC;AACnC,EAAE;AACF,+EAA+E;AAC/E,iFAAiF;AACjF,+EAA+E;AAC/E,6EAA6E;AAC7E,6EAA6E;AAC7E,2EAA2E;AAC3E,8EAA8E;AAC9E,sDAAsD;AACtD,EAAE;AACF,kEAAkE;AAClE,yEAAyE;AA6BzE,SAAS,eAAe,CAAC,QAAmC;IAC1D,OAAO,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,SAAS,GAAG,CAAC,CAAC,WAAW,GAAG,CAAC,CAAC,EAAE,CAAC,CAAC,CAAA;AAC5E,CAAC;AASD;;;;;GAKG;AACH,SAAS,iBAAiB,CACxB,OAAgC,EAChC,MAAqB;IAErB,OAAO,cAAc,CACnB,OAAO,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,CAC1B,CAAC,CAAC,OAAO,KAAK,SAAS;QACrB,CAAC,CAAC,CAAC,CAAC,QAAQ,KAAK,MAAM,CAAC,QAAQ;QAChC,CAAC,CAAC,MAAM,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC,CAAC,OAAO,CAAC,CACtC,CACF,CAAA;AACH,CAAC;AAED;;;;;;GAMG;AACH,MAAM,UAAU,6BAA6B,CAC3C,QAAmC,EACnC,MAAiC;IAEjC,IAAI,MAAM,KAAK,SAAS,EAAE,CAAC;QACzB,OAAO,SAAS,CAAA;IAClB,CAAC;IACD,IAAI,IAAyC,CAAA;IAC7C,KAAK,MAAM,OAAO,IAAI,QAAQ,EAAE,CAAC;QAC/B,MAAM,QAAQ,GAAG,iBAAiB,CAAC,OAAO,EAAE,MAAM,CAAC,CAAA;QACnD,IACE,QAAQ,CAAC,MAAM,GAAG,CAAC;YACnB,CAAC,CAAC,IAAI,IAAI,eAAe,CAAC,QAAQ,CAAC,GAAG,eAAe,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC,EACrE,CAAC;YACD,IAAI,GAAG,EAAE,GAAG,OAAO,EAAE,QAAQ,EAAE,CAAA;QACjC,CAAC;IACH,CAAC;IACD,OAAO,IAAI,CAAA;AACb,CAAC;AAED,MAAM,eAAe,GAAG,CAAC,CAAA;AACzB,MAAM,gBAAgB,GAAG,GAAG,CAAA;AAE5B;;;;;;;;;;;;;;;GAeG;AACH,MAAM,UAAU,sBAAsB,CACpC,QAAmC,EACnC,MAAiC,EACjC,MAAoC;IAEpC,MAAM,QAAQ,GAAG,IAAI,GAAG,EAAU,CAAA;IAClC,MAAM,WAAW,GAAG,MAAM;QACxB,CAAC,CAAC,QAAQ;aACL,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,iBAAiB,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC;aACtC,MAAM,CAAC,QAAQ,CAAC,EAAE,CAAC,QAAQ,CAAC,MAAM,GAAG,CAAC,CAAC;QAC5C,CAAC,CAAC,EAAE,CAAA;IACN,IAAI,WAAW,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;QAC3B,OAAO,QAAQ,CAAA;IACjB,CAAC;IACD,MAAM,MAAM,GAAG,CAAC,QAAmC,EAAE,GAAW,EAAE,EAAE,CAClE,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,CAAC,WAAW,IAAI,GAAG,IAAI,CAAC,CAAC,SAAS,CAAC,CAAA;IAChE,MAAM,QAAQ,GAAG,WAAW,CAAC,GAAG,CAAC,QAAQ,CAAC,EAAE;QAC1C,IAAI,OAAO,GAAG,CAAC,CAAA;QACf,IAAI,SAAS,GAAG,CAAC,CAAA;QACjB,KAAK,MAAM,CAAC,GAAG,EAAE,IAAI,CAAC,IAAI,MAAM,EAAE,CAAC;YACjC,IAAI,MAAM,CAAC,QAAQ,EAAE,GAAG,CAAC,EAAE,CAAC;gBAC1B,OAAO,EAAE,CAAA;gBACT,SAAS,IAAI,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAA;YAC3B,CAAC;QACH,CAAC;QACD,OAAO,SAAS,GAAG,CAAC,OAAO,GAAG,eAAe,CAAC,CAAA;IAChD,CAAC,CAAC,CAAA;IACF,MAAM,WAAW,GAAG,IAAI,CAAC,GAAG,CAAC,GAAG,QAAQ,CAAC,CAAA;IACzC,IAAI,WAAW,GAAG,gBAAgB,EAAE,CAAC;QACnC,OAAO,QAAQ,CAAA;IACjB,CAAC;IACD,MAAM,GAAG,GAAG,WAAW,CAAC,QAAQ,CAAC,OAAO,CAAC,WAAW,CAAC,CAAE,CAAA;IACvD,KAAK,MAAM,GAAG,IAAI,MAAM,CAAC,IAAI,EAAE,EAAE,CAAC;QAChC,IACE,CAAC,MAAM,CAAC,GAAG,EAAE,GAAG,CAAC;YACjB,WAAW,CAAC,IAAI,CAAC,QAAQ,CAAC,EAAE,CAAC,QAAQ,KAAK,GAAG,IAAI,MAAM,CAAC,QAAQ,EAAE,GAAG,CAAC,CAAC,EACvE,CAAC;YACD,QAAQ,CAAC,GAAG,CAAC,GAAG,CAAC,CAAA;QACnB,CAAC;IACH,CAAC;IACD,OAAO,QAAQ,CAAA;AACjB,CAAC;AAED,wEAAwE;AACxE,+EAA+E;AAC/E,SAAS,cAAc,CAAC,QAAmC;IACzD,MAAM,IAAI,GAAG,IAAI,GAAG,EAAU,CAAA;IAC9B,OAAO,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE;QACzB,MAAM,GAAG,GAAG,GAAG,CAAC,CAAC,QAAQ,IAAI,CAAC,CAAC,MAAM,IAAI,CAAC,CAAC,WAAW,IAAI,CAAC,CAAC,SAAS,EAAE,CAAA;QACvE,MAAM,KAAK,GAAG,CAAC,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,CAAA;QAC5B,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,CAAA;QACb,OAAO,KAAK,CAAA;IACd,CAAC,CAAC,CAAA;AACJ,CAAC;AAED;mDACmD;AACnD,MAAM,CAAC,MAAM,0BAA0B,GAAuB,UAAU,CAAC,EAAE,CACzE,UAAU,GAAG,CAAC,CAAA;AAEhB,MAAM,UAAU,sBAAsB,CACpC,QAAmC;IAEnC,OAAO,UAAU,CAAC,EAAE;QAClB,MAAM,OAAO,GAAG,QAAQ,CAAC,IAAI,CAC3B,CAAC,CAAC,EAAE,CAAC,UAAU,IAAI,CAAC,CAAC,QAAQ,IAAI,UAAU,IAAI,CAAC,CAAC,MAAM,CACxD,CAAA;QACD,IAAI,CAAC,OAAO,EAAE,CAAC;YACb,OAAO,SAAS,CAAA;QAClB,CAAC;QACD,MAAM,GAAG,GAAG,OAAO,CAAC,WAAW,GAAG,CAAC,UAAU,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAA;QACjE,OAAO,GAAG,IAAI,OAAO,CAAC,SAAS,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,SAAS,CAAA;IACnD,CAAC,CAAA;AACH,CAAC"}
@@ -1,19 +1,14 @@
1
1
  /**
2
2
  * Which molstar trajectory parser a structure needs.
3
3
  *
4
- * Getting this wrong is not a graceful failure in either direction: parsing a
5
- * PDB file as mmCIF throws ("Unexpected token. Expected data_, loop_, or data
6
- * name"), and — worse — parsing an mmCIF as PDB *succeeds* and yields a model
7
- * with zero polymer entities and thousands of misread atoms, so the view loads
8
- * with no sequence, no alignment and no genome mapping, and nothing reports an
9
- * error.
4
+ * A wrong choice fails either way. Parsing a PDB file as mmCIF throws
5
+ * ("Unexpected token. Expected data_, loop_, or data name"). Parsing an mmCIF
6
+ * as PDB succeeds and yields a model with zero polymer entities and thousands of
7
+ * misread atoms, so the structure loads with no sequence, no alignment and no
8
+ * genome mapping, and with no error.
10
9
  *
11
- * So detection lives here and is applied as the default at every entry point,
12
- * rather than at one of them.
13
- *
14
- * The two names are the subset of molstar's `BuiltInTrajectoryFormat` a
15
- * structure loaded from a file or a url can be, spelled out rather than
16
- * imported so nothing here depends on molstar.
10
+ * The two names are the subset of molstar's `BuiltInTrajectoryFormat` that a
11
+ * structure file or URL can be, written out so nothing here imports molstar.
17
12
  */
18
13
  export type StructureFormat = 'pdb' | 'mmcif';
19
14
  /** Trailing extension of a filename or URL, lowercased, ignoring any query or
@@ -21,18 +16,16 @@ export type StructureFormat = 'pdb' | 'mmcif';
21
16
  export declare function structureFileExtension(nameOrUrl: string): string;
22
17
  /**
23
18
  * Format for a filename or URL. Unknown extensions fall back to mmCIF, which is
24
- * what every URL this plugin generates itself serves (AlphaFold and RCSB both
25
- * hand out `.cif`).
19
+ * what AlphaFold and RCSB serve (`.cif`).
26
20
  */
27
21
  export declare function structureFormatFromName(nameOrUrl: string): StructureFormat;
28
22
  /** Whether a URL points at a binary-encoded structure, which molstar must be
29
23
  * told to download as bytes rather than text. */
30
24
  export declare function isBinaryStructureUrl(url: string): boolean;
31
25
  /**
32
- * Format for structure text that arrived without a filename — an inline `data`
33
- * snapshot, a pasted file, or the PDB the plugin synthesizes from Foldseek Cα
34
- * coordinates. Sniffs the content, which is strictly more reliable than a name
35
- * and is the only signal available here.
26
+ * Format for structure text with no filename, such as inline data, a pasted
27
+ * file, or a PDB built by `caCoordsToPdb`. The content is more reliable than a
28
+ * name, and here it is the only signal.
36
29
  *
37
30
  * mmCIF is line-oriented and its first meaningful line is a `data_` block
38
31
  * header (comments and blank lines may precede it); PDB has none.
@@ -14,8 +14,7 @@ export function structureFileExtension(nameOrUrl) {
14
14
  }
15
15
  /**
16
16
  * Format for a filename or URL. Unknown extensions fall back to mmCIF, which is
17
- * what every URL this plugin generates itself serves (AlphaFold and RCSB both
18
- * hand out `.cif`).
17
+ * what AlphaFold and RCSB serve (`.cif`).
19
18
  */
20
19
  export function structureFormatFromName(nameOrUrl) {
21
20
  return PDB_EXTENSIONS.has(structureFileExtension(nameOrUrl)) ? 'pdb' : 'mmcif';
@@ -26,10 +25,9 @@ export function isBinaryStructureUrl(url) {
26
25
  return structureFileExtension(url) === 'bcif';
27
26
  }
28
27
  /**
29
- * Format for structure text that arrived without a filename — an inline `data`
30
- * snapshot, a pasted file, or the PDB the plugin synthesizes from Foldseek Cα
31
- * coordinates. Sniffs the content, which is strictly more reliable than a name
32
- * and is the only signal available here.
28
+ * Format for structure text with no filename, such as inline data, a pasted
29
+ * file, or a PDB built by `caCoordsToPdb`. The content is more reliable than a
30
+ * name, and here it is the only signal.
33
31
  *
34
32
  * mmCIF is line-oriented and its first meaningful line is a `data_` block
35
33
  * header (comments and blank lines may precede it); PDB has none.
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"structureFormat.js","sourceRoot":"","sources":["../src/structureFormat.ts"],"names":[],"mappings":"AAcA,gFAAgF;AAChF,wEAAwE;AACxE,MAAM,cAAc,GAAG,IAAI,GAAG,CAAC,CAAC,KAAK,EAAE,KAAK,EAAE,MAAM,EAAE,MAAM,EAAE,MAAM,CAAC,CAAC,CAAA;AAEtE;mEACmE;AACnE,MAAM,UAAU,sBAAsB,CAAC,SAAiB;IACtD,MAAM,IAAI,GAAG,SAAS,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAA;IAC7C,MAAM,IAAI,GAAG,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,GAAG,EAAE,IAAI,EAAE,CAAA;IACxC,MAAM,KAAK,GAAG,IAAI,CAAC,WAAW,EAAE,CAAC,KAAK,CAAC,GAAG,CAAC,CAAA;IAC3C,IAAI,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,KAAK,IAAI,EAAE,CAAC;QAC1B,KAAK,CAAC,GAAG,EAAE,CAAA;IACb,CAAC;IACD,OAAO,KAAK,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAA;AACrD,CAAC;AAED;;;GAGG;AACH,MAAM,UAAU,uBAAuB,CAAC,SAAiB;IACvD,OAAO,cAAc,CAAC,GAAG,CAAC,sBAAsB,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAA;AAChF,CAAC;AAED;iDACiD;AACjD,MAAM,UAAU,oBAAoB,CAAC,GAAW;IAC9C,OAAO,sBAAsB,CAAC,GAAG,CAAC,KAAK,MAAM,CAAA;AAC/C,CAAC;AAED;;;;;;;GAOG;AACH,MAAM,UAAU,0BAA0B,CAAC,IAAY;IACrD,2EAA2E;IAC3E,wBAAwB;IACxB,KAAK,MAAM,IAAI,IAAI,IAAI,CAAC,KAAK,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC;QACnD,MAAM,OAAO,GAAG,IAAI,CAAC,IAAI,EAAE,CAAA;QAC3B,IAAI,OAAO,KAAK,EAAE,IAAI,CAAC,OAAO,CAAC,UAAU,CAAC,GAAG,CAAC,EAAE,CAAC;YAC/C,OAAO,OAAO,CAAC,WAAW,EAAE,CAAC,UAAU,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,KAAK,CAAA;QACpE,CAAC;IACH,CAAC;IACD,OAAO,KAAK,CAAA;AACd,CAAC"}
@@ -11,7 +11,7 @@ export interface ExperimentalStructure {
11
11
  end: number;
12
12
  /** fraction of the UniProt sequence the entry covers, 0..1 */
13
13
  coverage: number;
14
- /** author chain ids carrying the protein */
14
+ /** author chain ids of the protein */
15
15
  chains: string[];
16
16
  }
17
17
  /** One polymer entity aligned to the accession. */
@@ -12,20 +12,15 @@ export declare function getPdbStructureUrl(pdbId: string): string;
12
12
  export declare function isPdbId(value: string): boolean;
13
13
  export declare function rcsbEntryUrl(pdbId: string): string;
14
14
  /**
15
- * Resolve the `{ pdbId }` shorthand to a concrete structure URL, so a
16
- * hand-authored snapshot or a short launch URL doesn't have to know RCSB's
17
- * filename format. An explicit `url` (or inline `data`) always wins.
18
- * Idempotent: re-resolving an already-resolved spec returns the same url.
15
+ * Resolve the `{ pdbId }` shorthand to a structure URL, so a hand-written config
16
+ * or a short launch URL needs no RCSB filename. An explicit `url` (or inline
17
+ * `data`) always wins, and resolving an already-resolved spec returns the same
18
+ * url.
19
19
  *
20
- * `uniprotId` deliberately resolves to no url here, and still outranks a
21
- * `pdbId`. An accession's files are whatever AlphaFold DB currently holds — an
22
- * isoform model, several fragments, a new model version — so the structure
23
- * keeps the accession and the structure loader asks the prediction API which
24
- * file to open.
25
- *
26
- * Shared by the Structure model's snapshot preprocessor and the
27
- * LaunchView-ProteinView extension point, which would otherwise each carry
28
- * their own copy of the same precedence rule.
20
+ * `uniprotId` resolves to no url and still outranks a `pdbId`. AlphaFold DB's
21
+ * files for an accession change (an isoform model, several fragments, a new
22
+ * model version), so the caller keeps the accession and asks
23
+ * `fetchAlphaFoldModels` which file to open.
29
24
  */
30
25
  export declare function resolveStructureUrl({ url, data, uniprotId, pdbId, }: {
31
26
  url?: string;
@@ -45,9 +40,9 @@ export declare function getUniprotIdFromAlphaFoldTarget(target: string): string
45
40
  export declare function getStructureUrlFromTarget(target: string, db: string): string | undefined;
46
41
  export declare function getConfidenceUrlFromTarget(target: string): string | undefined;
47
42
  /**
48
- * What a structure is called in the UI: its PDB id, its AlphaFold accession,
49
- * else the file's name. Shared by the view title, the alignment panel heading
50
- * and the hover readout, so one structure reads the same everywhere.
43
+ * The name to show for a structure: its PDB id, its AlphaFold accession, else
44
+ * the file's name. Use it wherever a structure is named, so each place shows
45
+ * the same name.
51
46
  */
52
47
  export declare function structureDisplayLabel({ url, data, uniprotId, }: {
53
48
  url?: string;
@@ -1,11 +1,7 @@
1
- // Pure structure-URL builders and target parsers. Kept dependency-free so both
2
- // the launch flow and the ProteinView model (e.g. resolving a `uniprotId`/`pdbId`
3
- // shorthand at hydration) can import them without pulling in heavy launch code.
1
+ // Structure URL builders and target parsers, with no dependencies.
4
2
  const ALPHAFOLD_VERSION = 'v6';
5
- // UniProt endpoints. rest.* is the machine API (the GFF the feature tracks and
6
- // the alignment's annotation rows both read, the FASTA the temporary protein
7
- // assembly is built from); www.*/entry is the human-facing entry page the UI
8
- // links to. Centralized so a path change is one edit rather than a grep.
3
+ // UniProt endpoints. rest.* is the machine API, serving the features as GFF
4
+ // and the sequence as FASTA; www.*/entry is the entry page for people.
9
5
  export function uniprotGffUrl(uniprotId) {
10
6
  return `https://rest.uniprot.org/uniprotkb/${uniprotId}.gff`;
11
7
  }
@@ -37,20 +33,15 @@ export function rcsbEntryUrl(pdbId) {
37
33
  return `https://www.rcsb.org/structure/${pdbId.toUpperCase()}`;
38
34
  }
39
35
  /**
40
- * Resolve the `{ pdbId }` shorthand to a concrete structure URL, so a
41
- * hand-authored snapshot or a short launch URL doesn't have to know RCSB's
42
- * filename format. An explicit `url` (or inline `data`) always wins.
43
- * Idempotent: re-resolving an already-resolved spec returns the same url.
36
+ * Resolve the `{ pdbId }` shorthand to a structure URL, so a hand-written config
37
+ * or a short launch URL needs no RCSB filename. An explicit `url` (or inline
38
+ * `data`) always wins, and resolving an already-resolved spec returns the same
39
+ * url.
44
40
  *
45
- * `uniprotId` deliberately resolves to no url here, and still outranks a
46
- * `pdbId`. An accession's files are whatever AlphaFold DB currently holds — an
47
- * isoform model, several fragments, a new model version — so the structure
48
- * keeps the accession and the structure loader asks the prediction API which
49
- * file to open.
50
- *
51
- * Shared by the Structure model's snapshot preprocessor and the
52
- * LaunchView-ProteinView extension point, which would otherwise each carry
53
- * their own copy of the same precedence rule.
41
+ * `uniprotId` resolves to no url and still outranks a `pdbId`. AlphaFold DB's
42
+ * files for an accession change (an isoform model, several fragments, a new
43
+ * model version), so the caller keeps the accession and asks
44
+ * `fetchAlphaFoldModels` which file to open.
54
45
  */
55
46
  export function resolveStructureUrl({ url, data, uniprotId, pdbId, }) {
56
47
  if (url !== undefined || data !== undefined) {
@@ -117,9 +108,9 @@ export function getConfidenceUrlFromTarget(target) {
117
108
  return undefined;
118
109
  }
119
110
  /**
120
- * What a structure is called in the UI: its PDB id, its AlphaFold accession,
121
- * else the file's name. Shared by the view title, the alignment panel heading
122
- * and the hover readout, so one structure reads the same everywhere.
111
+ * The name to show for a structure: its PDB id, its AlphaFold accession, else
112
+ * the file's name. Use it wherever a structure is named, so each place shows
113
+ * the same name.
123
114
  */
124
115
  export function structureDisplayLabel({ url, data, uniprotId, }) {
125
116
  if (url === undefined) {
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"structureUrls.js","sourceRoot":"","sources":["../src/structureUrls.ts"],"names":[],"mappings":"AAAA,mEAAmE;AAEnE,MAAM,iBAAiB,GAAG,IAAI,CAAA;AAE9B,4EAA4E;AAC5E,uEAAuE;AACvE,MAAM,UAAU,aAAa,CAAC,SAAiB;IAC7C,OAAO,sCAAsC,SAAS,MAAM,CAAA;AAC9D,CAAC;AAED,MAAM,UAAU,eAAe,CAAC,SAAiB;IAC/C,OAAO,sCAAsC,SAAS,QAAQ,CAAA;AAChE,CAAC;AAED,MAAM,UAAU,eAAe,CAAC,SAAiB;IAC/C,OAAO,qCAAqC,SAAS,QAAQ,CAAA;AAC/D,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,wBAAwB,CACtC,SAAiB,EACjB,OAAO,GAAG,iBAAiB;IAE3B,OAAO,wCAAwC,SAAS,aAAa,OAAO,MAAM,CAAA;AACpF,CAAC;AAED,MAAM,UAAU,kBAAkB,CAAC,KAAa;IAC9C,OAAO,mCAAmC,KAAK,MAAM,CAAA;AACvD,CAAC;AAED,6EAA6E;AAC7E,8EAA8E;AAC9E,gBAAgB;AAChB,MAAM,UAAU,OAAO,CAAC,KAAa;IACnC,OAAO,uBAAuB,CAAC,IAAI,CAAC,KAAK,CAAC,CAAA;AAC5C,CAAC;AAED,MAAM,UAAU,YAAY,CAAC,KAAa;IACxC,OAAO,kCAAkC,KAAK,CAAC,WAAW,EAAE,EAAE,CAAA;AAChE,CAAC;AAED;;;;;;;;;;GAUG;AACH,MAAM,UAAU,mBAAmB,CAAC,EAClC,GAAG,EACH,IAAI,EACJ,SAAS,EACT,KAAK,GAMN;IACC,IAAI,GAAG,KAAK,SAAS,IAAI,IAAI,KAAK,SAAS,EAAE,CAAC;QAC5C,OAAO,GAAG,CAAA;IACZ,CAAC;IACD,OAAO,SAAS,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS;QACnD,CAAC,CAAC,SAAS;QACX,CAAC,CAAC,kBAAkB,CAAC,KAAK,CAAC,CAAA;AAC/B,CAAC;AAED,8EAA8E;AAC9E,iFAAiF;AACjF,8DAA8D;AAC9D,MAAM,iBAAiB,GAAG,CAAC,gBAAgB,EAAE,eAAe,EAAE,eAAe,CAAC,CAAA;AAE9E;;;;GAIG;AACH,MAAM,UAAU,eAAe,CAAC,GAAW;IACzC,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,CAAC,GAAG,EAAE;QAC3B,IAAI,CAAC;YACH,MAAM,MAAM,GAAG,IAAI,GAAG,CAAC,GAAG,CAAC,CAAA;YAC3B,OAAO,EAAE,IAAI,EAAE,MAAM,CAAC,QAAQ,EAAE,IAAI,EAAE,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,GAAG,EAAE,EAAE,CAAA;QAC1E,CAAC;QAAC,MAAM,CAAC;YACP,OAAO,EAAE,IAAI,EAAE,SAAS,EAAE,IAAI,EAAE,SAAS,EAAE,CAAA;QAC7C,CAAC;IACH,CAAC,CAAC,EAAE,CAAA;IACJ,IAAI,IAAI,KAAK,SAAS,IAAI,CAAC,iBAAiB,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC;QAC5D,OAAO,SAAS,CAAA;IAClB,CAAC;IACD,MAAM,KAAK,GACT,2EAA2E,CAAC,IAAI,CAC9E,IAAI,IAAI,EAAE,CACX,CAAA;IACH,OAAO,KAAK,EAAE,CAAC,CAAC,CAAC,EAAE,WAAW,EAAE,CAAA;AAClC,CAAC;AAED,yEAAyE;AACzE,yEAAyE;AACzE,SAAS,eAAe,CAAC,MAAc;IACrC,OAAO,MAAM,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,CAAE,CAAA;AAC9B,CAAC;AAED;+EAC+E;AAC/E,MAAM,UAAU,+BAA+B,CAAC,MAAc;IAC5D,MAAM,KAAK,GAAG,8BAA8B,CAAC,IAAI,CAAC,eAAe,CAAC,MAAM,CAAC,CAAC,CAAA;IAC1E,OAAO,KAAK,EAAE,CAAC,CAAC,CAAC,CAAA;AACnB,CAAC;AAED,0EAA0E;AAC1E,wEAAwE;AACxE,MAAM,UAAU,yBAAyB,CAAC,MAAc,EAAE,EAAU;IAClE,MAAM,QAAQ,GAAG,eAAe,CAAC,MAAM,CAAC,CAAA;IACxC,IAAI,QAAQ,CAAC,UAAU,CAAC,KAAK,CAAC,EAAE,CAAC;QAC/B,OAAO,qCAAqC,QAAQ,MAAM,CAAA;IAC5D,CAAC;IACD,MAAM,KAAK,GACT,EAAE,KAAK,QAAQ;QACb,CAAC,CAAC,iCAAiC,CAAC,IAAI,CAAC,QAAQ,CAAC,EAAE,CAAC,CAAC,CAAC;QACvD,CAAC,CAAC,SAAS,CAAA;IACf,OAAO,KAAK,CAAC,CAAC,CAAC,kBAAkB,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,SAAS,CAAA;AACtD,CAAC;AAED,MAAM,UAAU,0BAA0B,CAAC,MAAc;IACvD,MAAM,QAAQ,GAAG,eAAe,CAAC,MAAM,CAAC,CAAA;IACxC,IAAI,QAAQ,CAAC,UAAU,CAAC,KAAK,CAAC,EAAE,CAAC;QAC/B,MAAM,YAAY,GAAG,QAAQ,CAAC,OAAO,CAAC,SAAS,EAAE,cAAc,CAAC,CAAA;QAChE,OAAO,qCAAqC,YAAY,OAAO,CAAA;IACjE,CAAC;IACD,OAAO,SAAS,CAAA;AAClB,CAAC;AAED;;;;GAIG;AACH,MAAM,UAAU,qBAAqB,CAAC,EACpC,GAAG,EACH,IAAI,EACJ,SAAS,GAKV;IACC,IAAI,GAAG,KAAK,SAAS,EAAE,CAAC;QACtB,OAAO,IAAI,KAAK,SAAS;YACvB,CAAC,CAAC,oBAAoB;YACtB,CAAC,CAAC,SAAS;gBACT,CAAC,CAAC,aAAa,SAAS,EAAE;gBAC1B,CAAC,CAAC,EAAE,CAAA;IACV,CAAC;IACD,MAAM,KAAK,GAAG,eAAe,CAAC,GAAG,CAAC,CAAA;IAClC,IAAI,KAAK,EAAE,CAAC;QACV,OAAO,KAAK,CAAC,WAAW,EAAE,CAAA;IAC5B,CAAC;IACD,MAAM,YAAY,GAAG,+BAA+B,CAAC,GAAG,CAAC,CAAA;IACzD,IAAI,YAAY,EAAE,CAAC;QACjB,OAAO,aAAa,YAAY,EAAE,CAAA;IACpC,CAAC;IACD,MAAM,IAAI,GAAG,GAAG,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,GAAG,EAAE,EAAE,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAA;IAChD,OAAO,IAAI,KAAK,SAAS,IAAI,IAAI,KAAK,EAAE,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,CAAA;AACvD,CAAC"}
package/esm/types.d.ts CHANGED
@@ -5,10 +5,7 @@ export declare const ALIGNMENT_ALGORITHMS: {
5
5
  };
6
6
  export declare const DEFAULT_ALIGNMENT_ALGORITHM: AlignmentAlgorithm;
7
7
  export declare const ALIGNMENT_ALGORITHM_VALUES: AlignmentAlgorithm[];
8
- /**
9
- * Parses an untrusted algorithm name (a URL session-spec param) into the union.
10
- * The only place a coercion is needed: the model property is an enumeration, so
11
- * everything downstream of hydration is already typed.
12
- */
8
+ /** Parses an untrusted algorithm name, such as a URL parameter, falling back
9
+ * to Smith-Waterman. */
13
10
  export declare function coerceAlignmentAlgorithm(value: string): AlignmentAlgorithm;
14
11
  export declare const ALIGNMENT_ALGORITHM_LABELS: Record<AlignmentAlgorithm, string>;
package/esm/types.js CHANGED
@@ -7,11 +7,8 @@ export const ALIGNMENT_ALGORITHM_VALUES = [
7
7
  'needleman_wunsch',
8
8
  'smith_waterman',
9
9
  ];
10
- /**
11
- * Parses an untrusted algorithm name (a URL session-spec param) into the union.
12
- * The only place a coercion is needed: the model property is an enumeration, so
13
- * everything downstream of hydration is already typed.
14
- */
10
+ /** Parses an untrusted algorithm name, such as a URL parameter, falling back
11
+ * to Smith-Waterman. */
15
12
  export function coerceAlignmentAlgorithm(value) {
16
13
  return (ALIGNMENT_ALGORITHM_VALUES.find(v => v === value) ??
17
14
  DEFAULT_ALIGNMENT_ALGORITHM);
package/esm/types.js.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"types.js","sourceRoot":"","sources":["../src/types.ts"],"names":[],"mappings":"AAEA,MAAM,CAAC,MAAM,oBAAoB,GAAG;IAClC,gBAAgB,EAAE,kBAAkB;IACpC,cAAc,EAAE,gBAAgB;CACxB,CAAA;AAEV,MAAM,CAAC,MAAM,2BAA2B,GAAuB,gBAAgB,CAAA;AAE/E,MAAM,CAAC,MAAM,0BAA0B,GAAyB;IAC9D,kBAAkB;IAClB,gBAAgB;CACjB,CAAA;AAED;;;;GAIG;AACH,MAAM,UAAU,wBAAwB,CAAC,KAAa;IACpD,OAAO,CACL,0BAA0B,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,KAAK,CAAC;QACjD,2BAA2B,CAC5B,CAAA;AACH,CAAC;AAED,MAAM,CAAC,MAAM,0BAA0B,GAAuC;IAC5E,gBAAgB,EAAE,kBAAkB;IACpC,cAAc,EAAE,gBAAgB;CACjC,CAAA"}
1
+ {"version":3,"file":"types.js","sourceRoot":"","sources":["../src/types.ts"],"names":[],"mappings":"AAEA,MAAM,CAAC,MAAM,oBAAoB,GAAG;IAClC,gBAAgB,EAAE,kBAAkB;IACpC,cAAc,EAAE,gBAAgB;CACxB,CAAA;AAEV,MAAM,CAAC,MAAM,2BAA2B,GAAuB,gBAAgB,CAAA;AAE/E,MAAM,CAAC,MAAM,0BAA0B,GAAyB;IAC9D,kBAAkB;IAClB,gBAAgB;CACjB,CAAA;AAED;wBACwB;AACxB,MAAM,UAAU,wBAAwB,CAAC,KAAa;IACpD,OAAO,CACL,0BAA0B,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,KAAK,CAAC;QACjD,2BAA2B,CAC5B,CAAA;AACH,CAAC;AAED,MAAM,CAAC,MAAM,0BAA0B,GAAuC;IAC5E,gBAAgB,EAAE,kBAAkB;IACpC,cAAc,EAAE,gBAAgB;CACjC,CAAA"}
@@ -47,7 +47,6 @@ async function searchByXref(id, opts) {
47
47
  return { entries: await searchUniProt(query, 10, opts), error: undefined };
48
48
  }
49
49
  catch (e) {
50
- console.error(`xref search failed for ${id}:`, e);
51
50
  return { entries: [], error: e };
52
51
  }
53
52
  }
@@ -59,18 +58,14 @@ async function searchByGeneName(geneName, organismId, opts) {
59
58
  // are 284812. The descendants are asked only on a miss, because for a
60
59
  // species with reviewed subspecies entries (human and Neanderthal) they
61
60
  // turn one answer into two.
62
- // The taxon itself has answered, so the wider question failing leaves
63
- // that answer standing rather than turning an empty result into an error.
61
+ // When the descendant search fails, the taxon's own empty result stands
62
+ // rather than becoming an error.
64
63
  const entries = exact.length === 0 && organismId
65
- ? await searchUniProt(buildGeneNameQuery(geneName, organismId, 'taxonomy_id'), 5, opts).catch((e) => {
66
- console.error(`descendant-taxon search failed for ${geneName}:`, e);
67
- return exact;
68
- })
64
+ ? await searchUniProt(buildGeneNameQuery(geneName, organismId, 'taxonomy_id'), 5, opts).catch(() => exact)
69
65
  : exact;
70
66
  return { entries, error: undefined };
71
67
  }
72
68
  catch (e) {
73
- console.error(`gene name search failed for ${geneName}:`, e);
74
69
  return { entries: [], error: e };
75
70
  }
76
71
  }
@@ -1 +1 @@
1
- {"version":3,"file":"uniProtSearch.js","sourceRoot":"","sources":["../src/uniProtSearch.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,SAAS,EAAE,MAAM,iBAAiB,CAAA;AAC3C,OAAO,EACL,qBAAqB,EACrB,sBAAsB,EACtB,oBAAoB,GACrB,MAAM,YAAY,CAAA;AAsCnB,MAAM,cAAc,GAClB,6DAA6D,CAAA;AAE/D,SAAS,mBAAmB,CAC1B,MAAsC;IAEtC,OAAO;QACL,SAAS,EAAE,MAAM,CAAC,gBAAgB;QAClC,EAAE,EAAE,MAAM,CAAC,WAAW;QACtB,QAAQ,EAAE,MAAM,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,EAAE,QAAQ,EAAE,KAAK;QAC5C,YAAY,EACV,MAAM,CAAC,QAAQ,EAAE,UAAU,IAAI,MAAM,CAAC,QAAQ,EAAE,cAAc;QAChE,WAAW,EAAE,MAAM,CAAC,kBAAkB,EAAE,eAAe,EAAE,QAAQ,EAAE,KAAK;QACxE,UAAU,EAAE,MAAM,CAAC,SAAS,KAAK,iCAAiC;KACnE,CAAA;AACH,CAAC;AAED,KAAK,UAAU,aAAa,CAC1B,KAAa,EACb,IAAY,EACZ,IAAmB;IAEnB,MAAM,GAAG,GAAG,mDAAmD,kBAAkB,CAAC,KAAK,CAAC,WAAW,cAAc,SAAS,IAAI,EAAE,CAAA;IAChI,MAAM,IAAI,GAAG,MAAM,SAAS,CAAmB,GAAG,EAAE,IAAI,CAAC,CAAA;IACzD,OAAO,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,mBAAmB,CAAC,CAAA;AAC9C,CAAC;AAED;;;;;;;;;;;;GAYG;AACH,MAAM,UAAU,kBAAkB,CAChC,QAAgB,EAChB,UAAmB,EACnB,QAAuC,aAAa;IAEpD,OAAO;QACL,eAAe,QAAQ,CAAC,UAAU,CAAC,GAAG,EAAE,KAAK,CAAC,GAAG;QACjD,UAAU,CAAC,CAAC,CAAC,GAAG,KAAK,IAAI,UAAU,EAAE,CAAC,CAAC,CAAC,SAAS;QACjD,eAAe;KAChB;SACE,MAAM,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,SAAS,CAAC;SAC5B,IAAI,CAAC,OAAO,CAAC,CAAA;AAClB,CAAC;AAOD,KAAK,UAAU,YAAY,CACzB,EAAU,EACV,IAAmB;IAEnB,MAAM,KAAK,GAAG,qBAAqB,CAAC,EAAE,CAAC,CAAA;IACvC,IAAI,CAAC,KAAK,EAAE,CAAC;QACX,OAAO,EAAE,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,SAAS,EAAE,CAAA;IAC1C,CAAC;IACD,IAAI,CAAC;QACH,OAAO,EAAE,OAAO,EAAE,MAAM,aAAa,CAAC,KAAK,EAAE,EAAE,EAAE,IAAI,CAAC,EAAE,KAAK,EAAE,SAAS,EAAE,CAAA;IAC5E,CAAC;IAAC,OAAO,CAAC,EAAE,CAAC;QACX,OAAO,CAAC,KAAK,CAAC,0BAA0B,EAAE,GAAG,EAAE,CAAC,CAAC,CAAA;QACjD,OAAO,EAAE,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,EAAE,CAAA;IAClC,CAAC;AACH,CAAC;AAED,KAAK,UAAU,gBAAgB,CAC7B,QAAgB,EAChB,UAA8B,EAC9B,IAAmB;IAEnB,IAAI,CAAC;QACH,MAAM,KAAK,GAAG,MAAM,aAAa,CAC/B,kBAAkB,CAAC,QAAQ,EAAE,UAAU,CAAC,EACxC,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,EACnB,IAAI,CACL,CAAA;QACD,0EAA0E;QAC1E,0EAA0E;QAC1E,sEAAsE;QACtE,wEAAwE;QACxE,4BAA4B;QAC5B,sEAAsE;QACtE,0EAA0E;QAC1E,MAAM,OAAO,GACX,KAAK,CAAC,MAAM,KAAK,CAAC,IAAI,UAAU;YAC9B,CAAC,CAAC,MAAM,aAAa,CACjB,kBAAkB,CAAC,QAAQ,EAAE,UAAU,EAAE,aAAa,CAAC,EACvD,CAAC,EACD,IAAI,CACL,CAAC,KAAK,CAAC,CAAC,CAAU,EAAE,EAAE;gBACrB,OAAO,CAAC,KAAK,CAAC,sCAAsC,QAAQ,GAAG,EAAE,CAAC,CAAC,CAAA;gBACnE,OAAO,KAAK,CAAA;YACd,CAAC,CAAC;YACJ,CAAC,CAAC,KAAK,CAAA;QACX,OAAO,EAAE,OAAO,EAAE,KAAK,EAAE,SAAS,EAAE,CAAA;IACtC,CAAC;IAAC,OAAO,CAAC,EAAE,CAAC;QACX,OAAO,CAAC,KAAK,CAAC,+BAA+B,QAAQ,GAAG,EAAE,CAAC,CAAC,CAAA;QAC5D,OAAO,EAAE,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,EAAE,CAAA;IAClC,CAAC;AACH,CAAC;AAED,SAAS,kBAAkB,CAAC,OAAuB;IACjD,MAAM,IAAI,GAAG,IAAI,GAAG,EAAU,CAAA;IAC9B,MAAM,MAAM,GAAmB,EAAE,CAAA;IACjC,KAAK,MAAM,KAAK,IAAI,OAAO,EAAE,CAAC;QAC5B,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,SAAS,CAAC,EAAE,CAAC;YAC/B,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,SAAS,CAAC,CAAA;YACzB,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAA;QACpB,CAAC;IACH,CAAC;IACD,OAAO,MAAM,CAAA;AACf,CAAC;AAQD,MAAM,CAAC,KAAK,UAAU,oBAAoB,CACxC,EACE,aAAa,GAAG,EAAE,EAClB,MAAM,EACN,QAAQ,EACR,UAAU,GAOX,EACD,IAAmB;IAEnB,MAAM,WAAW,GAAG,IAAI,GAAG,CAAC,aAAa,CAAC,CAAA;IAC1C,MAAM,cAAc,GAAG,MAAM,CAAC,CAAC,CAAC,oBAAoB,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,SAAS,CAAA;IACxE,IAAI,cAAc,IAAI,sBAAsB,CAAC,cAAc,CAAC,EAAE,CAAC;QAC7D,WAAW,CAAC,GAAG,CAAC,cAAc,CAAC,CAAA;IACjC,CAAC;IAED,6EAA6E;IAC7E,2EAA2E;IAC3E,uEAAuE;IACvE,MAAM,CAAC,WAAW,EAAE,UAAU,CAAC,GAAG,MAAM,OAAO,CAAC,GAAG,CAAC;QAClD,OAAO,CAAC,GAAG,CAAC,CAAC,GAAG,WAAW,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC,EAAE,CAAC,YAAY,CAAC,EAAE,EAAE,IAAI,CAAC,CAAC,CAAC;QAC/D,QAAQ,CAAC,CAAC,CAAC,gBAAgB,CAAC,QAAQ,EAAE,UAAU,EAAE,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS;KACpE,CAAC,CAAA;IAEF,IAAI,OAAO,GAAG,kBAAkB,CAAC,WAAW,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAA;IACrE,wEAAwE;IACxE,6EAA6E;IAC7E,yEAAyE;IACzE,MAAM,mBAAmB,GACvB,UAAU,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,SAAS,CAAA;IACzE,IAAI,mBAAmB,EAAE,CAAC;QACxB,OAAO,GAAG,kBAAkB,CAAC,CAAC,GAAG,OAAO,EAAE,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC,CAAA;IAC5E,CAAC;IAED,MAAM,cAAc,GAAG,WAAW,CAAC,IAAI,GAAG,CAAC,mBAAmB,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAA;IACvE,MAAM,WAAW,GACf,WAAW,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,KAAK,KAAK,SAAS,CAAC,CAAC,MAAM;QACrD,CAAC,mBAAmB,EAAE,KAAK,KAAK,SAAS,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAA;IAEpD,4EAA4E;IAC5E,6EAA6E;IAC7E,IACE,OAAO,CAAC,MAAM,KAAK,CAAC;QACpB,cAAc,GAAG,CAAC;QAClB,cAAc,KAAK,WAAW,EAC9B,CAAC;QACD,MAAM,CACJ,mBAAmB,EAAE,KAAK;YAC1B,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,KAAK,KAAK,SAAS,CAAC,EAAE,KAAK,CACpD,CAAA;IACH,CAAC;IAED,OAAO;QACL,OAAO,EAAE,OAAO,CAAC,QAAQ,CACvB,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,MAAM,CAAC,CAAC,CAAC,UAAU,CAAC,GAAG,MAAM,CAAC,CAAC,CAAC,UAAU,CAAC,CACtD;QACD,cAAc;QACd,WAAW;KACZ,CAAA;AACH,CAAC"}
1
+ {"version":3,"file":"uniProtSearch.js","sourceRoot":"","sources":["../src/uniProtSearch.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,SAAS,EAAE,MAAM,iBAAiB,CAAA;AAC3C,OAAO,EACL,qBAAqB,EACrB,sBAAsB,EACtB,oBAAoB,GACrB,MAAM,YAAY,CAAA;AAsCnB,MAAM,cAAc,GAClB,6DAA6D,CAAA;AAE/D,SAAS,mBAAmB,CAC1B,MAAsC;IAEtC,OAAO;QACL,SAAS,EAAE,MAAM,CAAC,gBAAgB;QAClC,EAAE,EAAE,MAAM,CAAC,WAAW;QACtB,QAAQ,EAAE,MAAM,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,EAAE,QAAQ,EAAE,KAAK;QAC5C,YAAY,EACV,MAAM,CAAC,QAAQ,EAAE,UAAU,IAAI,MAAM,CAAC,QAAQ,EAAE,cAAc;QAChE,WAAW,EAAE,MAAM,CAAC,kBAAkB,EAAE,eAAe,EAAE,QAAQ,EAAE,KAAK;QACxE,UAAU,EAAE,MAAM,CAAC,SAAS,KAAK,iCAAiC;KACnE,CAAA;AACH,CAAC;AAED,KAAK,UAAU,aAAa,CAC1B,KAAa,EACb,IAAY,EACZ,IAAmB;IAEnB,MAAM,GAAG,GAAG,mDAAmD,kBAAkB,CAAC,KAAK,CAAC,WAAW,cAAc,SAAS,IAAI,EAAE,CAAA;IAChI,MAAM,IAAI,GAAG,MAAM,SAAS,CAAmB,GAAG,EAAE,IAAI,CAAC,CAAA;IACzD,OAAO,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,mBAAmB,CAAC,CAAA;AAC9C,CAAC;AAED;;;;;;;;;;;;GAYG;AACH,MAAM,UAAU,kBAAkB,CAChC,QAAgB,EAChB,UAAmB,EACnB,QAAuC,aAAa;IAEpD,OAAO;QACL,eAAe,QAAQ,CAAC,UAAU,CAAC,GAAG,EAAE,KAAK,CAAC,GAAG;QACjD,UAAU,CAAC,CAAC,CAAC,GAAG,KAAK,IAAI,UAAU,EAAE,CAAC,CAAC,CAAC,SAAS;QACjD,eAAe;KAChB;SACE,MAAM,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,SAAS,CAAC;SAC5B,IAAI,CAAC,OAAO,CAAC,CAAA;AAClB,CAAC;AAOD,KAAK,UAAU,YAAY,CACzB,EAAU,EACV,IAAmB;IAEnB,MAAM,KAAK,GAAG,qBAAqB,CAAC,EAAE,CAAC,CAAA;IACvC,IAAI,CAAC,KAAK,EAAE,CAAC;QACX,OAAO,EAAE,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,SAAS,EAAE,CAAA;IAC1C,CAAC;IACD,IAAI,CAAC;QACH,OAAO,EAAE,OAAO,EAAE,MAAM,aAAa,CAAC,KAAK,EAAE,EAAE,EAAE,IAAI,CAAC,EAAE,KAAK,EAAE,SAAS,EAAE,CAAA;IAC5E,CAAC;IAAC,OAAO,CAAC,EAAE,CAAC;QACX,OAAO,EAAE,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,EAAE,CAAA;IAClC,CAAC;AACH,CAAC;AAED,KAAK,UAAU,gBAAgB,CAC7B,QAAgB,EAChB,UAA8B,EAC9B,IAAmB;IAEnB,IAAI,CAAC;QACH,MAAM,KAAK,GAAG,MAAM,aAAa,CAC/B,kBAAkB,CAAC,QAAQ,EAAE,UAAU,CAAC,EACxC,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,EACnB,IAAI,CACL,CAAA;QACD,0EAA0E;QAC1E,0EAA0E;QAC1E,sEAAsE;QACtE,wEAAwE;QACxE,4BAA4B;QAC5B,wEAAwE;QACxE,iCAAiC;QACjC,MAAM,OAAO,GACX,KAAK,CAAC,MAAM,KAAK,CAAC,IAAI,UAAU;YAC9B,CAAC,CAAC,MAAM,aAAa,CACjB,kBAAkB,CAAC,QAAQ,EAAE,UAAU,EAAE,aAAa,CAAC,EACvD,CAAC,EACD,IAAI,CACL,CAAC,KAAK,CAAC,GAAG,EAAE,CAAC,KAAK,CAAC;YACtB,CAAC,CAAC,KAAK,CAAA;QACX,OAAO,EAAE,OAAO,EAAE,KAAK,EAAE,SAAS,EAAE,CAAA;IACtC,CAAC;IAAC,OAAO,CAAC,EAAE,CAAC;QACX,OAAO,EAAE,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,EAAE,CAAA;IAClC,CAAC;AACH,CAAC;AAED,SAAS,kBAAkB,CAAC,OAAuB;IACjD,MAAM,IAAI,GAAG,IAAI,GAAG,EAAU,CAAA;IAC9B,MAAM,MAAM,GAAmB,EAAE,CAAA;IACjC,KAAK,MAAM,KAAK,IAAI,OAAO,EAAE,CAAC;QAC5B,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,SAAS,CAAC,EAAE,CAAC;YAC/B,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,SAAS,CAAC,CAAA;YACzB,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAA;QACpB,CAAC;IACH,CAAC;IACD,OAAO,MAAM,CAAA;AACf,CAAC;AAQD,MAAM,CAAC,KAAK,UAAU,oBAAoB,CACxC,EACE,aAAa,GAAG,EAAE,EAClB,MAAM,EACN,QAAQ,EACR,UAAU,GAOX,EACD,IAAmB;IAEnB,MAAM,WAAW,GAAG,IAAI,GAAG,CAAC,aAAa,CAAC,CAAA;IAC1C,MAAM,cAAc,GAAG,MAAM,CAAC,CAAC,CAAC,oBAAoB,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,SAAS,CAAA;IACxE,IAAI,cAAc,IAAI,sBAAsB,CAAC,cAAc,CAAC,EAAE,CAAC;QAC7D,WAAW,CAAC,GAAG,CAAC,cAAc,CAAC,CAAA;IACjC,CAAC;IAED,6EAA6E;IAC7E,2EAA2E;IAC3E,uEAAuE;IACvE,MAAM,CAAC,WAAW,EAAE,UAAU,CAAC,GAAG,MAAM,OAAO,CAAC,GAAG,CAAC;QAClD,OAAO,CAAC,GAAG,CAAC,CAAC,GAAG,WAAW,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC,EAAE,CAAC,YAAY,CAAC,EAAE,EAAE,IAAI,CAAC,CAAC,CAAC;QAC/D,QAAQ,CAAC,CAAC,CAAC,gBAAgB,CAAC,QAAQ,EAAE,UAAU,EAAE,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS;KACpE,CAAC,CAAA;IAEF,IAAI,OAAO,GAAG,kBAAkB,CAAC,WAAW,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAA;IACrE,wEAAwE;IACxE,6EAA6E;IAC7E,yEAAyE;IACzE,MAAM,mBAAmB,GACvB,UAAU,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,SAAS,CAAA;IACzE,IAAI,mBAAmB,EAAE,CAAC;QACxB,OAAO,GAAG,kBAAkB,CAAC,CAAC,GAAG,OAAO,EAAE,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC,CAAA;IAC5E,CAAC;IAED,MAAM,cAAc,GAAG,WAAW,CAAC,IAAI,GAAG,CAAC,mBAAmB,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAA;IACvE,MAAM,WAAW,GACf,WAAW,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,KAAK,KAAK,SAAS,CAAC,CAAC,MAAM;QACrD,CAAC,mBAAmB,EAAE,KAAK,KAAK,SAAS,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAA;IAEpD,4EAA4E;IAC5E,6EAA6E;IAC7E,IACE,OAAO,CAAC,MAAM,KAAK,CAAC;QACpB,cAAc,GAAG,CAAC;QAClB,cAAc,KAAK,WAAW,EAC9B,CAAC;QACD,MAAM,CACJ,mBAAmB,EAAE,KAAK;YAC1B,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,KAAK,KAAK,SAAS,CAAC,EAAE,KAAK,CACpD,CAAA;IACH,CAAC;IAED,OAAO;QACL,OAAO,EAAE,OAAO,CAAC,QAAQ,CACvB,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,MAAM,CAAC,CAAC,CAAC,UAAU,CAAC,GAAG,MAAM,CAAC,CAAC,CAAC,UAAU,CAAC,CACtD;QACD,cAAc;QACd,WAAW;KACZ,CAAA;AACH,CAAC"}
package/package.json CHANGED
@@ -1,7 +1,7 @@
1
1
  {
2
2
  "name": "p2s_mapper",
3
3
  "description": "Map a transcript's translation onto a protein structure: alignment, coordinates, chain choice, UniProt mapping, and the AlphaFold and RCSB lookups that find the structure",
4
- "version": "2.0.0",
4
+ "version": "2.1.0",
5
5
  "packageManager": "pnpm@11.15.1",
6
6
  "repository": {
7
7
  "type": "git",
@@ -7,21 +7,21 @@ import {
7
7
  import type { PairwiseAlignment } from './mappings.ts'
8
8
 
9
9
  export interface AlignmentQuality {
10
- /** columns carrying a residue on both rows, i.e. mapped positions */
10
+ /** columns with a residue in both rows, i.e. mapped positions */
11
11
  aligned: number
12
12
  identical: number
13
13
  transcriptLength: number
14
14
  structureLength: number
15
15
  /** identical over aligned; 0 when nothing aligned */
16
16
  identity: number
17
- /** identical over the shorter of the two sequences: the statistic that
18
- * separates a real match from a chance local alignment, see below */
17
+ /** identical over the shorter of the two sequences, which separates a
18
+ * real match from a chance local alignment (see LOW_IDENTITY_OVER_SHORTER) */
19
19
  identityOverShorter: number
20
20
  /** aligned over the structure's length */
21
21
  structureCoverage: number
22
22
  /** first and last transcript residue the alignment covers, 1-based
23
- * inclusive; 0 when nothing aligned. A structure is usually a fragment, and
24
- * which part of the protein it holds is the reader's first question. */
23
+ * inclusive; 0 when nothing aligned. A structure is usually a fragment, so
24
+ * these show which part of the protein it contains. */
25
25
  transcriptStart: number
26
26
  transcriptEnd: number
27
27
  }
@@ -78,11 +78,11 @@ export async function fetchAlphaFoldModels(
78
78
 
79
79
  /**
80
80
  * The model to open for a gene's transcripts: one folded from exactly a
81
- * transcript's translation, canonical first, so the view maps it as an
82
- * identity; else the canonical model; else the longest isoform model.
81
+ * transcript's translation, canonical first, so every residue maps to itself;
82
+ * else the canonical model; else the longest isoform model.
83
83
  *
84
- * Takes any record of sequences, since the structure loader knows one
85
- * translation rather than a gene's isoforms.
84
+ * Takes any record of sequences, since a caller may know one translation rather
85
+ * than a gene's isoforms.
86
86
  */
87
87
  export function pickAlphaFoldModel(
88
88
  models: AlphaFoldModel[],
@@ -24,13 +24,13 @@ export function interactionMatchesMappedEntity(
24
24
  }
25
25
 
26
26
  export interface EntitySelection extends ScoredAlignment {
27
- /** index into the candidate array of the entity that is the transcript's */
27
+ /** index of the chosen entity in the candidate array */
28
28
  index: number
29
29
  }
30
30
 
31
31
  export interface ScoredAlignment {
32
- /** alignment of the transcript against the entity (stop codons stripped on
33
- * both sides, matching the rest of the mapping pipeline) */
32
+ /** alignment of the transcript against the entity, with stop codons
33
+ * stripped from both */
34
34
  alignment: PairwiseAlignment
35
35
  /** identical aligned residues */
36
36
  matches: number
@@ -56,8 +56,7 @@ export interface EntityCandidate {
56
56
  * usually is: on 1H26 the 11-residue p53 peptide matches 11 while CDK2 accrues
57
57
  * 58 scattered identities, and on 4ZZJ SIRT1 beats the 7-residue p53 peptide
58
58
  * 63 to 6. The Smith-Waterman score is no better there (56 vs 58). Dividing
59
- * by length asks the question the picker actually has, which chain *is* this
60
- * gene's product: the peptide scores 0.69 and 0.50, the partners 0.19 and
59
+ * by the shorter length identifies the chain that *is* this gene's product: the peptide scores 0.69 and 0.50, the partners 0.19 and
61
60
  * 0.17, and across a ribosome's 55 chains no decoy passes 0.29.
62
61
  *
63
62
  * Dividing by the *entity's* length alone penalised a fusion construct: a
@@ -136,18 +135,16 @@ export function alignTranscriptToEntity(
136
135
  }
137
136
 
138
137
  /**
139
- * Pick which polymer entity of a structure corresponds to the transcript.
138
+ * Pick the polymer entity of a structure that is the transcript's protein.
140
139
  *
141
- * The plugin historically hardcoded entity `[0]`, which silently mis-maps every
142
- * heteromeric / protein-DNA / processed-peptide structure where the protein of
143
- * interest is some other chain. Selecting by alignment makes the structure self-
144
- * describe which entity is the gene's protein: an exact sequence match wins
145
- * outright, otherwise the entity with the highest identity over the shorter
146
- * sequence (see `explainedFraction`). Nucleic-acid entities are never
147
- * candidates.
140
+ * Taking entity `[0]` mis-maps every heteromeric, protein-DNA or
141
+ * processed-peptide structure where the protein is another chain. An exact
142
+ * sequence match wins outright; otherwise the entity with the highest identity
143
+ * over the shorter sequence wins (see `explainedFraction`). Nucleic-acid
144
+ * entities are never candidates.
148
145
  *
149
- * Returns `undefined` only when there is nothing to map (no transcript or no
150
- * protein entities) — never a silent fallback to the wrong entity.
146
+ * Returns `undefined` only when there is nothing to map: no transcript, or no
147
+ * protein entity. It never falls back to another entity.
151
148
  */
152
149
  export function chooseMappedEntity(
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150
  transcript: string,