@cyanheads/protein-mcp-server 0.2.1 → 0.3.1

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Files changed (29) hide show
  1. package/AGENTS.md +3 -2
  2. package/CLAUDE.md +3 -2
  3. package/README.md +21 -2
  4. package/changelog/0.3.x/0.3.0.md +20 -0
  5. package/changelog/0.3.x/0.3.1.md +16 -0
  6. package/dist/mcp-server/tools/definitions/_schemas.d.ts +10 -0
  7. package/dist/mcp-server/tools/definitions/_schemas.d.ts.map +1 -1
  8. package/dist/mcp-server/tools/definitions/_schemas.js +19 -0
  9. package/dist/mcp-server/tools/definitions/_schemas.js.map +1 -1
  10. package/dist/mcp-server/tools/definitions/get-annotations.tool.d.ts +22 -1
  11. package/dist/mcp-server/tools/definitions/get-annotations.tool.d.ts.map +1 -1
  12. package/dist/mcp-server/tools/definitions/get-annotations.tool.js +114 -4
  13. package/dist/mcp-server/tools/definitions/get-annotations.tool.js.map +1 -1
  14. package/dist/mcp-server/tools/definitions/get-structure.tool.d.ts +9 -0
  15. package/dist/mcp-server/tools/definitions/get-structure.tool.d.ts.map +1 -1
  16. package/dist/mcp-server/tools/definitions/get-structure.tool.js +72 -13
  17. package/dist/mcp-server/tools/definitions/get-structure.tool.js.map +1 -1
  18. package/dist/services/rcsb/rcsb-service.d.ts +9 -3
  19. package/dist/services/rcsb/rcsb-service.d.ts.map +1 -1
  20. package/dist/services/rcsb/rcsb-service.js +24 -11
  21. package/dist/services/rcsb/rcsb-service.js.map +1 -1
  22. package/dist/services/rcsb/types.d.ts +9 -0
  23. package/dist/services/rcsb/types.d.ts.map +1 -1
  24. package/dist/services/shared/attribution.d.ts +42 -0
  25. package/dist/services/shared/attribution.d.ts.map +1 -0
  26. package/dist/services/shared/attribution.js +111 -0
  27. package/dist/services/shared/attribution.js.map +1 -0
  28. package/package.json +1 -1
  29. package/server.json +3 -3
@@ -4,6 +4,7 @@
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  * GraphQL call with per-ID partial success (`failed[]`). Optionally inlines
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  * coordinate-file content; when that overflows a byte budget it returns a
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  * per-structure section outline for targeted re-call instead of truncating.
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+ * Carries upstream data attribution (RCSB PDB / AlphaFold DB) per response.
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  * @module mcp-server/tools/definitions/get-structure.tool
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  */
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  import { tool, z } from '@cyanheads/mcp-ts-core';
@@ -14,8 +15,10 @@ import { getAlphaFoldService } from '../../../services/alphafold/alphafold-servi
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  import { getBeaconsService } from '../../../services/beacons/beacons-service.js';
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  import { getRcsbService } from '../../../services/rcsb/rcsb-service.js';
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  import { mapWithConcurrency } from '../../../services/shared/async.js';
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+ import { attributionsFor } from '../../../services/shared/attribution.js';
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  import { fetchText } from '../../../services/shared/http.js';
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  import { isPdbId, isUniProtAccession } from '../../../services/shared/identifiers.js';
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+ import { attributionSchema, renderAttribution } from './_schemas.js';
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  const confidenceBucketsSchema = z.object({
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  veryLow: z.number().describe('Fraction of residues with pLDDT < 50.'),
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  low: z.number().describe('Fraction with pLDDT 50–70.'),
@@ -37,7 +40,18 @@ const structureRecordSchema = z
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  resolution: z.number().optional().describe('Resolution in Å (experimental).'),
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  organism: z.string().optional().describe('Source organism.'),
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  provider: z.string().optional().describe('Model provider (predicted / best_available).'),
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- meanPlddt: z.number().optional().describe('Mean pLDDT confidence 0–100 (predicted).'),
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+ confidence: z
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+ .number()
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+ .optional()
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+ .describe('Model confidence on its native scale; confidenceType names the metric and range (e.g. pLDDT 0–100, QMEANDisCo 0–1). Present for predicted models that report a score.'),
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+ confidenceType: z
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+ .string()
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+ .optional()
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+ .describe('Name of the confidence metric carried in confidence (e.g. "pLDDT", "QMEANDisCo"). Providers score on different scales; this names the one in use.'),
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+ meanPlddt: z
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+ .number()
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+ .optional()
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+ .describe('Mean pLDDT confidence (0–100); present only for pLDDT-scored models. For other metrics read confidence + confidenceType.'),
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  confidenceBuckets: confidenceBucketsSchema
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  .optional()
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  .describe('pLDDT confidence-band fractions (predicted).'),
@@ -66,10 +80,12 @@ export const getStructure = tool('protein_get_structure', {
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  title: 'protein-mcp-server: get structure',
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  description: 'Fetch structures with metadata and coordinate-file URLs. source "experimental" takes PDB entry IDs ' +
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  '(batched in one call); "predicted" takes UniProt accessions (AlphaFold, with pLDDT/PAE confidence); ' +
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- '"best_available" takes UniProt accessions and returns the top federated model (experimental if one ' +
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- 'exists, else the best prediction). Resolves up to the configured batch cap per call with per-ID partial ' +
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- 'success — missed IDs are listed in failed[]. Set include_coords to inline coordinate content; if that ' +
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- 'overflows, a section outline is returned — re-call with sections:[ids] to inline specific structures.',
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+ '"best_available" takes UniProt accessions and returns the top federated model — the highest-resolution ' +
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+ 'experimental structure if one exists (optimizing resolution, not biological representativeness, so it can ' +
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+ 'return an engineered mutant over the wild-type entry), else the best prediction. Resolves up to the ' +
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+ 'configured batch cap per call with per-ID partial success — missed IDs are listed in failed[]. Set ' +
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+ 'include_coords to inline coordinate content; if that overflows, a section outline is returned — re-call ' +
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+ 'with sections:[ids] to inline specific structures.',
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  annotations: { readOnlyHint: true, openWorldHint: true },
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  errors: [
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  {
@@ -115,6 +131,9 @@ export const getStructure = tool('protein_get_structure', {
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  })
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  .describe('A requested ID that did not resolve, with the reason.'))
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  .describe('IDs that could not be resolved (partial success).'),
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+ attribution: z
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+ .array(attributionSchema)
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+ .describe('Upstream data-source licenses and citations for every source present in structures[] — RCSB PDB for experimental records, AlphaFold DB for predicted. Always present — the attribution obligation travels with the data.'),
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  overflow: z
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  .object({
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  sections: z
@@ -192,7 +211,25 @@ export const getStructure = tool('protein_get_structure', {
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  if (failed.length > 0) {
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  ctx.enrich.notice(`${failed.length} of ${ids.length} IDs did not resolve: ${failed.map((f) => f.id).join(', ')}.`);
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  }
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- return { structures, failed, ...(overflow ? { overflow } : {}) };
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+ // Attribution is a per-response union of the sources actually present, keyed
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+ // off each record's real provider. Experimental data is fetched from RCSB
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+ // regardless of the beacon's provider label. best_available federates predicted
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+ // models through 3D-Beacons (AlphaFold DB, SWISS-MODEL, BFVD, …), so a predicted
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+ // record's provider — not the binary source — determines the credit; an
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+ // uncurated provider falls back to an honest no-license entry. Crediting every
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+ // predicted model as AlphaFold would mis-attribute a SWISS-MODEL structure.
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+ const sources = new Set();
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+ for (const s of structures) {
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+ sources.add(s.source === 'experimental'
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+ ? 'RCSB PDB'
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+ : (s.provider ?? '3D-Beacons (provider unspecified)'));
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+ }
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+ return {
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+ structures,
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+ failed,
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+ attribution: attributionsFor(sources),
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+ ...(overflow ? { overflow } : {}),
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+ };
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  },
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  format: (result) => {
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  const lines = [`## Structures (${result.structures.length})`];
@@ -206,6 +243,9 @@ export const getStructure = tool('protein_get_structure', {
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  typeof s.resolution === 'number' ? `**Resolution:** ${s.resolution} Å` : null,
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  s.organism ? `**Organism:** ${s.organism}` : null,
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  s.provider ? `**Provider:** ${s.provider}` : null,
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+ typeof s.confidence === 'number'
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+ ? `**Confidence:** ${s.confidence}${s.confidenceType ? ` (${s.confidenceType})` : ''}`
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+ : null,
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  typeof s.meanPlddt === 'number' ? `**Mean pLDDT:** ${s.meanPlddt.toFixed(1)}` : null,
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  ].filter(Boolean);
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  if (meta.length > 0)
@@ -239,6 +279,10 @@ export const getStructure = tool('protein_get_structure', {
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  for (const s of result.overflow.sections)
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  lines.push(`- ${s.id}: ${s.bytes} bytes`);
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  }
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+ if (result.attribution.length > 0) {
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+ lines.push(`\n### Attribution`);
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+ lines.push(...renderAttribution(result.attribution));
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+ }
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  return [{ type: 'text', text: lines.join('\n') }];
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  },
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  });
@@ -320,16 +364,16 @@ async function fetchBest(accession, ctx) {
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  return null;
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  const isExperimental = /experimentally/i.test(best.modelCategory ?? '');
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  // For an experimental pick the federated id is the chosen PDB entry; surface it
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- // explicitly so the agent can cite the structure, and fetch its title for parity
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- // with source "experimental". The title is best-effort — a failed lookup must
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- // not drop the structure the agent already has.
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+ // explicitly so the agent can cite the structure, fetch its title for parity with
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+ // source "experimental", and emit the full cif/pdb/bcif set from RCSB (matching
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+ // fetchExperimental) instead of the single beacon modelUrl. The title is
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+ // best-effort — a failed lookup must not drop the structure the agent already has.
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+ const rcsb = getRcsbService();
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  let pdbId;
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  let title;
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  if (isExperimental && best.modelIdentifier) {
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  pdbId = best.modelIdentifier.toUpperCase();
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- const entries = await getRcsbService()
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- .getEntries([pdbId], ctx)
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- .catch(() => []);
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+ const entries = await rcsb.getEntries([pdbId], ctx).catch(() => []);
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  title = entries[0]?.title;
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  }
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  return {
@@ -340,10 +384,25 @@ async function fetchBest(accession, ctx) {
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  ...(best.provider ? { provider: best.provider } : {}),
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  ...(typeof best.resolution === 'number' ? { resolution: best.resolution } : {}),
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  ...(best.experimentalMethod ? { method: best.experimentalMethod } : {}),
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+ ...(best.confidenceType ? { confidenceType: best.confidenceType } : {}),
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  ...(typeof best.confidenceAvgLocalScore === 'number'
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+ ? { confidence: best.confidenceAvgLocalScore }
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+ : {}),
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+ // meanPlddt is pLDDT-only (0–100); never surface another provider's metric
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+ // (e.g. QMEANDisCo, 0–1) under it. Non-pLDDT scores stay in confidence.
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+ ...(typeof best.confidenceAvgLocalScore === 'number' &&
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+ best.confidenceType?.toLowerCase() === 'plddt'
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  ? { meanPlddt: best.confidenceAvgLocalScore }
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  : {}),
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- coordinateUrls: best.modelUrl ? coordinateUrlFor(best.modelUrl) : {},
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+ coordinateUrls: pdbId
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+ ? {
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+ cif: rcsb.coordinateFileUrl(pdbId, 'cif'),
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+ pdb: rcsb.coordinateFileUrl(pdbId, 'pdb'),
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+ bcif: rcsb.coordinateFileUrl(pdbId, 'bcif'),
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+ }
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+ : best.modelUrl
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+ ? coordinateUrlFor(best.modelUrl)
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+ : {},
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  };
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  }
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  /** Slot a single federated model URL into the right format key. */
@@ -1 +1 @@
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@@ -11,7 +11,7 @@ import type { Context } from '@cyanheads/mcp-ts-core';
11
11
  import type { AppConfig } from '@cyanheads/mcp-ts-core/config';
12
12
  import type { StorageService } from '@cyanheads/mcp-ts-core/storage';
13
13
  import type { ServerConfig } from '../../config/server-config.js';
14
- import type { BindingSite, ChemComp, ContentType, EntryMeta, FacetDimension, SearchResult, StructureSearchParams } from './types.js';
14
+ import type { BindingSite, ChemComp, ContentType, EntryMeta, FacetDimension, SearchResult, StructureSearchParams, UniProtXref } from './types.js';
15
15
  /** RCSB return types relevant to this server. */
16
16
  export type ReturnType = 'entry' | 'polymer_entity' | 'mol_definition';
17
17
  /** A facet dimension request: friendly name + how RCSB should aggregate it. */
@@ -56,8 +56,14 @@ export declare class RcsbService {
56
56
  }>;
57
57
  /** Batched entry metadata for up to N PDB IDs in one GraphQL call. */
58
58
  getEntries(ids: string[], ctx: Context): Promise<EntryMeta[]>;
59
- /** Resolve a PDB entry to its cross-referenced UniProt accession(s). */
60
- resolveUniprot(pdbId: string, ctx: Context): Promise<string[]>;
59
+ /**
60
+ * Resolve a PDB entry to its UniProt-cross-referenced polymer entities. Each
61
+ * returned entry carries the author chain IDs it covers, the mapped UniProt
62
+ * accession, and the polymer description — entity-grained so a caller can
63
+ * disambiguate a multi-chain entry by chain. One entry per polymer entity that
64
+ * carries a UniProt xref; entities without one are skipped. Single round trip.
65
+ */
66
+ resolveUniprotEntities(pdbId: string, ctx: Context): Promise<UniProtXref[]>;
61
67
  /** First polymer entity's one-letter sequence for a PDB entry. */
62
68
  getSequence(pdbId: string, ctx: Context): Promise<{
63
69
  entityId: string;
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"rcsb-service.d.ts","sourceRoot":"","sources":["../../../src/services/rcsb/rcsb-service.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,OAAO,KAAK,EAAE,OAAO,EAAE,MAAM,wBAAwB,CAAC;AACtD,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,+BAA+B,CAAC;AAE/D,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,gCAAgC,CAAC;AACrE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,2BAA2B,CAAC;AAE9D,OAAO,KAAK,EAEV,WAAW,EACX,QAAQ,EACR,WAAW,EACX,SAAS,EAET,cAAc,EAId,YAAY,EACZ,qBAAqB,EACrB,WAAW,EACZ,MAAM,YAAY,CAAC;AAEpB,iDAAiD;AACjD,MAAM,MAAM,UAAU,GAAG,OAAO,GAAG,gBAAgB,GAAG,gBAAgB,CAAC;AAEvE,+EAA+E;AAC/E,MAAM,WAAW,SAAS;IACxB,wBAAwB;IACxB,WAAW,EAAE,OAAO,GAAG,WAAW,GAAG,gBAAgB,CAAC;IACtD,mCAAmC;IACnC,SAAS,EAAE,MAAM,CAAC;IAClB,iDAAiD;IACjD,KAAK,CAAC,EAAE,SAAS,CAAC;IAClB,qDAAqD;IACrD,SAAS,EAAE,MAAM,CAAC;IAClB,gGAAgG;IAChG,QAAQ,CAAC,EAAE,MAAM,GAAG,MAAM,CAAC;CAC5B;AA6BD,qBAAa,WAAW;IACtB,OAAO,CAAC,QAAQ,CAAC,SAAS,CAAS;IACnC,OAAO,CAAC,QAAQ,CAAC,UAAU,CAAS;IACpC,OAAO,CAAC,QAAQ,CAAC,YAAY,CAAS;IACtC,OAAO,CAAC,QAAQ,CAAC,SAAS,CAAS;gBAEvB,OAAO,EAAE,SAAS,EAAE,QAAQ,EAAE,cAAc,EAAE,YAAY,EAAE,YAAY;IASpF,gFAAgF;IAC1E,MAAM,CACV,MAAM,EAAE,qBAAqB,EAC7B,GAAG,EAAE,OAAO,EACZ,MAAM,CAAC,EAAE,SAAS,EAAE,GACnB,OAAO,CAAC,YAAY,CAAC;IAqBxB,uEAAuE;IACjE,cAAc,CAClB,QAAQ,EAAE,MAAM,EAChB,IAAI,EAAE;QAAE,SAAS,CAAC,EAAE,MAAM,CAAC;QAAC,WAAW,CAAC,EAAE,MAAM,CAAC;QAAC,KAAK,CAAC,EAAE,MAAM,CAAC;QAAC,WAAW,CAAC,EAAE,WAAW,CAAA;KAAE,EAC7F,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,YAAY,CAAC;IAuBxB,4EAA4E;IACtE,cAAc,CAClB,MAAM,EAAE,MAAM,EACd,IAAI,EAAE;QAAE,KAAK,CAAC,EAAE,MAAM,CAAC;QAAC,WAAW,CAAC,EAAE,WAAW,CAAA;KAAE,EACnD,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,YAAY,CAAC;IAqBxB,yEAAyE;IACnE,aAAa,CAAC,KAAK,EAAE,MAAM,EAAE,KAAK,EAAE,MAAM,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAuBlF,2EAA2E;IACrE,aAAa,CACjB,MAAM,EAAE,qBAAqB,EAC7B,MAAM,EAAE,SAAS,EAAE,EACnB,GAAG,EAAE,OAAO,GACX,OAAO,CAAC;QAAE,KAAK,EAAE,MAAM,CAAC;QAAC,MAAM,EAAE,cAAc,EAAE,CAAA;KAAE,CAAC;IAgBvD,sEAAsE;IAChE,UAAU,CAAC,GAAG,EAAE,MAAM,EAAE,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,SAAS,EAAE,CAAC;IAWnE;;;;;;OAMG;IACG,sBAAsB,CAAC,KAAK,EAAE,MAAM,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,WAAW,EAAE,CAAC;IAyBjF,kEAAkE;IAC5D,WAAW,CACf,KAAK,EAAE,MAAM,EACb,GAAG,EAAE,OAAO,GACX,OAAO,CAAC;QAAE,QAAQ,EAAE,MAAM,CAAC;QAAC,QAAQ,EAAE,MAAM,CAAA;KAAE,GAAG,IAAI,CAAC;IAezD,oFAAoF;IAC9E,eAAe,CACnB,KAAK,EAAE,MAAM,EACb,MAAM,EAAE,MAAM,GAAG,SAAS,EAC1B,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,WAAW,EAAE,CAAC;IAmCzB,uEAAuE;IACjE,WAAW,CAAC,MAAM,EAAE,MAAM,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,QAAQ,GAAG,IAAI,CAAC;IAsBzE,gEAAgE;IAChE,iBAAiB,CAAC,KAAK,EAAE,MAAM,EAAE,MAAM,EAAE,KAAK,GAAG,KAAK,GAAG,MAAM,GAAG,MAAM;IAMxE,OAAO,CAAC,UAAU;YAeJ,OAAO;CAwBtB;AAID,yFAAyF;AACzF,wBAAgB,UAAU,CAAC,MAAM,EAAE,qBAAqB,GAAG,OAAO,CAqCjE;AAWD,sFAAsF;AACtF,wBAAgB,WAAW,CAAC,IAAI,EAAE,SAAS,GAAG,MAAM,CAAC,MAAM,EAAE,OAAO,CAAC,CAUpE;AA+PD,wBAAgB,eAAe,CAC7B,MAAM,EAAE,SAAS,EACjB,OAAO,EAAE,cAAc,EACvB,YAAY,EAAE,YAAY,GACzB,IAAI,CAEN;AAED,wBAAgB,cAAc,IAAI,WAAW,CAG5C"}
@@ -137,19 +137,30 @@ export class RcsbService {
137
137
  const data = await this.graphql(ENTRIES_QUERY, { ids: ids.map((id) => id.toUpperCase()) }, ctx, 'RcsbService.getEntries');
138
138
  return (data.entries ?? []).filter((e) => e != null).map(normalizeEntry);
139
139
  }
140
- /** Resolve a PDB entry to its cross-referenced UniProt accession(s). */
141
- async resolveUniprot(pdbId, ctx) {
142
- const data = await this.graphql(XREF_QUERY, { id: pdbId.toUpperCase() }, ctx, 'RcsbService.resolveUniprot');
143
- const accessions = new Set();
140
+ /**
141
+ * Resolve a PDB entry to its UniProt-cross-referenced polymer entities. Each
142
+ * returned entry carries the author chain IDs it covers, the mapped UniProt
143
+ * accession, and the polymer description — entity-grained so a caller can
144
+ * disambiguate a multi-chain entry by chain. One entry per polymer entity that
145
+ * carries a UniProt xref; entities without one are skipped. Single round trip.
146
+ */
147
+ async resolveUniprotEntities(pdbId, ctx) {
148
+ const data = await this.graphql(XREF_QUERY, { id: pdbId.toUpperCase() }, ctx, 'RcsbService.resolveUniprotEntities');
149
+ const xrefs = [];
144
150
  for (const entity of data.entry?.polymer_entities ?? []) {
145
- for (const ref of entity.rcsb_polymer_entity_container_identifiers
146
- ?.reference_sequence_identifiers ?? []) {
147
- if (/uniprot/i.test(ref.database_name ?? '') && ref.database_accession) {
148
- accessions.add(ref.database_accession.toUpperCase());
149
- }
150
- }
151
+ const container = entity.rcsb_polymer_entity_container_identifiers;
152
+ const accession = container?.reference_sequence_identifiers?.find((ref) => /uniprot/i.test(ref.database_name ?? '') && ref.database_accession)?.database_accession;
153
+ if (!accession)
154
+ continue;
155
+ xrefs.push({
156
+ accession: accession.toUpperCase(),
157
+ chains: container?.auth_asym_ids ?? [],
158
+ ...(entity.rcsb_polymer_entity?.pdbx_description
159
+ ? { proteinName: entity.rcsb_polymer_entity.pdbx_description }
160
+ : {}),
161
+ });
151
162
  }
152
- return [...accessions];
163
+ return xrefs;
153
164
  }
154
165
  /** First polymer entity's one-letter sequence for a PDB entry. */
155
166
  async getSequence(pdbId, ctx) {
@@ -439,7 +450,9 @@ const ENTRIES_QUERY = `query Entries($ids: [String!]!) {
439
450
  const XREF_QUERY = `query Xref($id: String!) {
440
451
  entry(entry_id: $id) {
441
452
  polymer_entities {
453
+ rcsb_polymer_entity { pdbx_description }
442
454
  rcsb_polymer_entity_container_identifiers {
455
+ auth_asym_ids
443
456
  reference_sequence_identifiers { database_accession database_name }
444
457
  }
445
458
  }
@@ -1 +1 @@
1
- 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@@ -55,6 +55,15 @@ export interface PolymerEntityMeta {
55
55
  /** Residue count of the sample sequence. */
56
56
  sequenceLength?: number;
57
57
  }
58
+ /** One polymer entity's UniProt cross-reference: the chains it covers and the mapped accession. */
59
+ export interface UniProtXref {
60
+ /** UniProt accession this entity maps to. */
61
+ accession: string;
62
+ /** Author chain IDs (auth_asym_id) this entity covers (e.g. ["A", "C"]). */
63
+ chains: string[];
64
+ /** Polymer entity description (e.g. "Hemoglobin subunit alpha"). */
65
+ proteinName?: string;
66
+ }
58
67
  /** A bound non-polymer (ligand) component within an entry. */
59
68
  export interface LigandMeta {
60
69
  /** Chemical component ID (e.g. `HEM`, `STI`). */
@@ -1 +1 @@
1
- {"version":3,"file":"types.d.ts","sourceRoot":"","sources":["../../../src/services/rcsb/types.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,sDAAsD;AACtD,MAAM,WAAW,SAAS;IACxB,qFAAqF;IACrF,EAAE,EAAE,MAAM,CAAC;IACX,4BAA4B;IAC5B,KAAK,EAAE,MAAM,CAAC;CACf;AAED,sFAAsF;AACtF,MAAM,WAAW,WAAW;IAC1B,yDAAyD;IACzD,QAAQ,CAAC,EAAE,cAAc,EAAE,CAAC;IAC5B,sCAAsC;IACtC,KAAK,EAAE,MAAM,CAAC;IACd,mEAAmE;IACnE,KAAK,EAAE,MAAM,CAAC;CACf;AAED,yCAAyC;AACzC,MAAM,WAAW,cAAc;IAC7B,uDAAuD;IACvD,SAAS,EAAE,MAAM,CAAC;IAClB,yFAAyF;IACzF,OAAO,EAAE,WAAW,EAAE,CAAC;IACvB,2EAA2E;IAC3E,SAAS,EAAE,MAAM,CAAC;IAClB,gEAAgE;IAChE,SAAS,CAAC,EAAE,OAAO,CAAC;CACrB;AAED,oCAAoC;AACpC,MAAM,WAAW,YAAY;IAC3B,+CAA+C;IAC/C,MAAM,CAAC,EAAE,cAAc,EAAE,CAAC;IAC1B,gCAAgC;IAChC,IAAI,EAAE,SAAS,EAAE,CAAC;IAClB,kDAAkD;IAClD,KAAK,EAAE,MAAM,CAAC;CACf;AAED,kEAAkE;AAClE,MAAM,WAAW,iBAAiB;IAChC,iDAAiD;IACjD,MAAM,CAAC,EAAE,MAAM,EAAE,CAAC;IAClB,+DAA+D;IAC/D,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,yCAAyC;IACzC,QAAQ,EAAE,MAAM,CAAC;IACjB,uCAAuC;IACvC,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,8EAA8E;IAC9E,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,4CAA4C;IAC5C,cAAc,CAAC,EAAE,MAAM,CAAC;CACzB;AAED,8DAA8D;AAC9D,MAAM,WAAW,UAAU;IACzB,iDAAiD;IACjD,MAAM,EAAE,MAAM,CAAC;IACf,wCAAwC;IACxC,OAAO,CAAC,EAAE,MAAM,CAAC;IACjB,oCAAoC;IACpC,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED,8DAA8D;AAC9D,MAAM,WAAW,SAAS;IACxB,oBAAoB;IACpB,EAAE,EAAE,MAAM,CAAC;IACX,4CAA4C;IAC5C,OAAO,EAAE,UAAU,EAAE,CAAC;IACtB,2DAA2D;IAC3D,OAAO,CAAC,EAAE,MAAM,EAAE,CAAC;IACnB,kDAAkD;IAClD,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB,yDAAyD;IACzD,SAAS,EAAE,MAAM,EAAE,CAAC;IACpB,gCAAgC;IAChC,eAAe,EAAE,iBAAiB,EAAE,CAAC;IACrC,uCAAuC;IACvC,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,4CAA4C;IAC5C,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB,uBAAuB;IACvB,KAAK,CAAC,EAAE,MAAM,CAAC;CAChB;AAED,4DAA4D;AAC5D,MAAM,WAAW,cAAc;IAC7B,mDAAmD;IACnD,MAAM,EAAE,MAAM,CAAC;IACf,2CAA2C;IAC3C,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,kDAAkD;IAClD,aAAa,EAAE,MAAM,CAAC;IACtB,wCAAwC;IACxC,KAAK,CAAC,EAAE,MAAM,CAAC;CAChB;AAED,4DAA4D;AAC5D,MAAM,WAAW,WAAW;IAC1B,uCAAuC;IACvC,YAAY,CAAC,EAAE,MAAM,CAAC;IACtB,oCAAoC;IACpC,YAAY,EAAE,MAAM,CAAC;IACrB,mDAAmD;IACnD,QAAQ,EAAE,cAAc,EAAE,CAAC;CAC5B;AAED,gDAAgD;AAChD,MAAM,WAAW,QAAQ;IACvB,iCAAiC;IACjC,MAAM,EAAE,MAAM,CAAC;IACf,yBAAyB;IACzB,OAAO,CAAC,EAAE,MAAM,CAAC;IACjB,2BAA2B;IAC3B,aAAa,CAAC,EAAE,MAAM,CAAC;IACvB,+BAA+B;IAC/B,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,qBAAqB;IACrB,IAAI,CAAC,EAAE,MAAM,CAAC;IACd,sCAAsC;IACtC,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,2CAA2C;IAC3C,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED,uCAAuC;AACvC,MAAM,MAAM,WAAW,GAAG,cAAc,GAAG,eAAe,CAAC;AAE3D,uEAAuE;AACvE,MAAM,WAAW,qBAAqB;IACpC,4BAA4B;IAC5B,WAAW,CAAC,EAAE,WAAW,CAAC;IAC1B,iBAAiB;IACjB,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,wCAAwC;IACxC,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB,+BAA+B;IAC/B,aAAa,CAAC,EAAE,MAAM,CAAC;IACvB,6DAA6D;IAC7D,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,4DAA4D;IAC5D,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,gDAAgD;IAChD,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,2DAA2D;IAC3D,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,mBAAmB;IACnB,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,uBAAuB;IACvB,IAAI,CAAC,EAAE,MAAM,CAAC;CACf"}
1
+ {"version":3,"file":"types.d.ts","sourceRoot":"","sources":["../../../src/services/rcsb/types.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,sDAAsD;AACtD,MAAM,WAAW,SAAS;IACxB,qFAAqF;IACrF,EAAE,EAAE,MAAM,CAAC;IACX,4BAA4B;IAC5B,KAAK,EAAE,MAAM,CAAC;CACf;AAED,sFAAsF;AACtF,MAAM,WAAW,WAAW;IAC1B,yDAAyD;IACzD,QAAQ,CAAC,EAAE,cAAc,EAAE,CAAC;IAC5B,sCAAsC;IACtC,KAAK,EAAE,MAAM,CAAC;IACd,mEAAmE;IACnE,KAAK,EAAE,MAAM,CAAC;CACf;AAED,yCAAyC;AACzC,MAAM,WAAW,cAAc;IAC7B,uDAAuD;IACvD,SAAS,EAAE,MAAM,CAAC;IAClB,yFAAyF;IACzF,OAAO,EAAE,WAAW,EAAE,CAAC;IACvB,2EAA2E;IAC3E,SAAS,EAAE,MAAM,CAAC;IAClB,gEAAgE;IAChE,SAAS,CAAC,EAAE,OAAO,CAAC;CACrB;AAED,oCAAoC;AACpC,MAAM,WAAW,YAAY;IAC3B,+CAA+C;IAC/C,MAAM,CAAC,EAAE,cAAc,EAAE,CAAC;IAC1B,gCAAgC;IAChC,IAAI,EAAE,SAAS,EAAE,CAAC;IAClB,kDAAkD;IAClD,KAAK,EAAE,MAAM,CAAC;CACf;AAED,kEAAkE;AAClE,MAAM,WAAW,iBAAiB;IAChC,iDAAiD;IACjD,MAAM,CAAC,EAAE,MAAM,EAAE,CAAC;IAClB,+DAA+D;IAC/D,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,yCAAyC;IACzC,QAAQ,EAAE,MAAM,CAAC;IACjB,uCAAuC;IACvC,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,8EAA8E;IAC9E,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,4CAA4C;IAC5C,cAAc,CAAC,EAAE,MAAM,CAAC;CACzB;AAED,mGAAmG;AACnG,MAAM,WAAW,WAAW;IAC1B,6CAA6C;IAC7C,SAAS,EAAE,MAAM,CAAC;IAClB,4EAA4E;IAC5E,MAAM,EAAE,MAAM,EAAE,CAAC;IACjB,oEAAoE;IACpE,WAAW,CAAC,EAAE,MAAM,CAAC;CACtB;AAED,8DAA8D;AAC9D,MAAM,WAAW,UAAU;IACzB,iDAAiD;IACjD,MAAM,EAAE,MAAM,CAAC;IACf,wCAAwC;IACxC,OAAO,CAAC,EAAE,MAAM,CAAC;IACjB,oCAAoC;IACpC,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED,8DAA8D;AAC9D,MAAM,WAAW,SAAS;IACxB,oBAAoB;IACpB,EAAE,EAAE,MAAM,CAAC;IACX,4CAA4C;IAC5C,OAAO,EAAE,UAAU,EAAE,CAAC;IACtB,2DAA2D;IAC3D,OAAO,CAAC,EAAE,MAAM,EAAE,CAAC;IACnB,kDAAkD;IAClD,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB,yDAAyD;IACzD,SAAS,EAAE,MAAM,EAAE,CAAC;IACpB,gCAAgC;IAChC,eAAe,EAAE,iBAAiB,EAAE,CAAC;IACrC,uCAAuC;IACvC,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,4CAA4C;IAC5C,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB,uBAAuB;IACvB,KAAK,CAAC,EAAE,MAAM,CAAC;CAChB;AAED,4DAA4D;AAC5D,MAAM,WAAW,cAAc;IAC7B,mDAAmD;IACnD,MAAM,EAAE,MAAM,CAAC;IACf,2CAA2C;IAC3C,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,kDAAkD;IAClD,aAAa,EAAE,MAAM,CAAC;IACtB,wCAAwC;IACxC,KAAK,CAAC,EAAE,MAAM,CAAC;CAChB;AAED,4DAA4D;AAC5D,MAAM,WAAW,WAAW;IAC1B,uCAAuC;IACvC,YAAY,CAAC,EAAE,MAAM,CAAC;IACtB,oCAAoC;IACpC,YAAY,EAAE,MAAM,CAAC;IACrB,mDAAmD;IACnD,QAAQ,EAAE,cAAc,EAAE,CAAC;CAC5B;AAED,gDAAgD;AAChD,MAAM,WAAW,QAAQ;IACvB,iCAAiC;IACjC,MAAM,EAAE,MAAM,CAAC;IACf,yBAAyB;IACzB,OAAO,CAAC,EAAE,MAAM,CAAC;IACjB,2BAA2B;IAC3B,aAAa,CAAC,EAAE,MAAM,CAAC;IACvB,+BAA+B;IAC/B,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,qBAAqB;IACrB,IAAI,CAAC,EAAE,MAAM,CAAC;IACd,sCAAsC;IACtC,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,2CAA2C;IAC3C,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED,uCAAuC;AACvC,MAAM,MAAM,WAAW,GAAG,cAAc,GAAG,eAAe,CAAC;AAE3D,uEAAuE;AACvE,MAAM,WAAW,qBAAqB;IACpC,4BAA4B;IAC5B,WAAW,CAAC,EAAE,WAAW,CAAC;IAC1B,iBAAiB;IACjB,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,wCAAwC;IACxC,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB,+BAA+B;IAC/B,aAAa,CAAC,EAAE,MAAM,CAAC;IACvB,6DAA6D;IAC7D,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,4DAA4D;IAC5D,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,gDAAgD;IAChD,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,2DAA2D;IAC3D,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,mBAAmB;IACnB,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,uBAAuB;IACvB,IAAI,CAAC,EAAE,MAAM,CAAC;CACf"}
@@ -0,0 +1,42 @@
1
+ /**
2
+ * @fileoverview Upstream data-source attribution — the license and citation each
3
+ * contributing database asks to travel with its data. `protein_get_structure` and
4
+ * `protein_get_annotations` project the sources that actually contributed to a
5
+ * response into a deduped attribution array, so the obligation rides with the data
6
+ * to every downstream consumer rather than living only in repo docs. Curated
7
+ * strings are verified against each source's primary license/citation page.
8
+ * `best_available` structures are federated through 3D-Beacons, an open set of
9
+ * model providers (AlphaFold DB, SWISS-MODEL, BFVD, AlphaFill, …), so an uncurated
10
+ * provider gets an honest fallback entry that asserts no license rather than a
11
+ * fabricated one. Pure data + a projection helper; the Zod output schema and
12
+ * renderer live in the tools' shared `_schemas.ts`.
13
+ * @module services/shared/attribution
14
+ */
15
+ /**
16
+ * Curated data-source display names (verified license + citation), in canonical
17
+ * render order. The structure sources come first (RCSB PDB, then the federated
18
+ * predicted providers), followed by the annotation trio.
19
+ */
20
+ export declare const CURATED_SOURCES: readonly ["RCSB PDB", "AlphaFold DB", "SWISS-MODEL", "BFVD", "UniProt", "InterPro", "GO"];
21
+ /** A curated data-source display name with a verified license + citation. */
22
+ export type CuratedSource = (typeof CURATED_SOURCES)[number];
23
+ /** License, citation, and homepage for one contributing data source. */
24
+ export interface Attribution {
25
+ /** Primary-literature citation the source asks consumers to cite. */
26
+ citation: string;
27
+ /** Source homepage. */
28
+ homepage: string;
29
+ /** License the source's data is released under (e.g. "CC BY 4.0"). */
30
+ license: string;
31
+ /** Data-source display name (a curated name, or a federated provider string). */
32
+ source: string;
33
+ }
34
+ /**
35
+ * Project the source names that contributed to a response into a deduped
36
+ * attribution array. Curated names render first in {@link CURATED_SOURCES} order;
37
+ * any uncurated provider follows, alphabetized, each with an honest fallback entry.
38
+ * The ordering is caller-insertion-independent, so an identical contributing set
39
+ * always renders identically.
40
+ */
41
+ export declare function attributionsFor(sources: Iterable<string>): Attribution[];
42
+ //# sourceMappingURL=attribution.d.ts.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"attribution.d.ts","sourceRoot":"","sources":["../../../src/services/shared/attribution.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAEH;;;;GAIG;AACH,eAAO,MAAM,eAAe,2FAQlB,CAAC;AAEX,6EAA6E;AAC7E,MAAM,MAAM,aAAa,GAAG,CAAC,OAAO,eAAe,CAAC,CAAC,MAAM,CAAC,CAAC;AAE7D,wEAAwE;AACxE,MAAM,WAAW,WAAW;IAC1B,qEAAqE;IACrE,QAAQ,EAAE,MAAM,CAAC;IACjB,uBAAuB;IACvB,QAAQ,EAAE,MAAM,CAAC;IACjB,sEAAsE;IACtE,OAAO,EAAE,MAAM,CAAC;IAChB,iFAAiF;IACjF,MAAM,EAAE,MAAM,CAAC;CAChB;AA8ED;;;;;;GAMG;AACH,wBAAgB,eAAe,CAAC,OAAO,EAAE,QAAQ,CAAC,MAAM,CAAC,GAAG,WAAW,EAAE,CAQxE"}
@@ -0,0 +1,111 @@
1
+ /**
2
+ * @fileoverview Upstream data-source attribution — the license and citation each
3
+ * contributing database asks to travel with its data. `protein_get_structure` and
4
+ * `protein_get_annotations` project the sources that actually contributed to a
5
+ * response into a deduped attribution array, so the obligation rides with the data
6
+ * to every downstream consumer rather than living only in repo docs. Curated
7
+ * strings are verified against each source's primary license/citation page.
8
+ * `best_available` structures are federated through 3D-Beacons, an open set of
9
+ * model providers (AlphaFold DB, SWISS-MODEL, BFVD, AlphaFill, …), so an uncurated
10
+ * provider gets an honest fallback entry that asserts no license rather than a
11
+ * fabricated one. Pure data + a projection helper; the Zod output schema and
12
+ * renderer live in the tools' shared `_schemas.ts`.
13
+ * @module services/shared/attribution
14
+ */
15
+ /**
16
+ * Curated data-source display names (verified license + citation), in canonical
17
+ * render order. The structure sources come first (RCSB PDB, then the federated
18
+ * predicted providers), followed by the annotation trio.
19
+ */
20
+ export const CURATED_SOURCES = [
21
+ 'RCSB PDB',
22
+ 'AlphaFold DB',
23
+ 'SWISS-MODEL',
24
+ 'BFVD',
25
+ 'UniProt',
26
+ 'InterPro',
27
+ 'GO',
28
+ ];
29
+ /**
30
+ * Canonical license + citation strings, keyed by source. Verified against each
31
+ * source's primary license/citation page. CC BY / CC BY-SA sources require
32
+ * attribution to travel with redistributed data; CC0 sources are citation-only
33
+ * (attribution encouraged, not required) but carried here so the obligation is
34
+ * legible either way. InterPro's own domain/family data is CC0 — the CC BY 4.0 GO
35
+ * terms carried alongside it are a separate, independently-gated source.
36
+ */
37
+ const ATTRIBUTIONS = {
38
+ 'RCSB PDB': {
39
+ source: 'RCSB PDB',
40
+ license: 'CC0 1.0 Universal',
41
+ citation: 'H.M. Berman et al., "The Protein Data Bank," Nucleic Acids Research 28:235–242 (2000). DOI: 10.1093/nar/28.1.235',
42
+ homepage: 'https://www.rcsb.org/',
43
+ },
44
+ 'AlphaFold DB': {
45
+ source: 'AlphaFold DB',
46
+ license: 'CC BY 4.0',
47
+ citation: 'Jumper et al., "Highly accurate protein structure prediction with AlphaFold," Nature 596:583–589 (2021). DOI: 10.1038/s41586-021-03819-2; Bertoni et al., "AlphaFold Protein Structure Database 2025: a redesigned interface and updated structural coverage," Nucleic Acids Research 54(D1):D358–D362 (2025). DOI: 10.1093/nar/gkaf1226',
48
+ homepage: 'https://alphafold.ebi.ac.uk/',
49
+ },
50
+ 'SWISS-MODEL': {
51
+ source: 'SWISS-MODEL',
52
+ license: 'CC BY-SA 4.0',
53
+ citation: 'Waterhouse et al., "SWISS-MODEL: homology modelling of protein structures and complexes," Nucleic Acids Research 46(W1):W296–W303 (2018). DOI: 10.1093/nar/gky427; Bienert et al., "The SWISS-MODEL Repository—new features and functionality," Nucleic Acids Research 45(D1):D313–D319 (2017). DOI: 10.1093/nar/gkw1132',
54
+ homepage: 'https://swissmodel.expasy.org/',
55
+ },
56
+ BFVD: {
57
+ source: 'BFVD',
58
+ license: 'CC BY 4.0',
59
+ citation: 'Kim et al., "BFVD—a large repository of predicted viral protein structures," Nucleic Acids Research 53(D1):D340–D347 (2025). DOI: 10.1093/nar/gkae1119',
60
+ homepage: 'https://bfvd.steineggerlab.workers.dev/',
61
+ },
62
+ UniProt: {
63
+ source: 'UniProt',
64
+ license: 'CC BY 4.0',
65
+ citation: 'The UniProt Consortium, "UniProt: the Universal Protein Knowledgebase in 2025," Nucleic Acids Research 53(D1):D609–D617 (2025). DOI: 10.1093/nar/gkae1010',
66
+ homepage: 'https://www.uniprot.org/',
67
+ },
68
+ InterPro: {
69
+ source: 'InterPro',
70
+ license: 'CC0 1.0 Universal',
71
+ citation: 'Blum et al., "InterPro: the protein sequence classification resource in 2025," Nucleic Acids Research 53(D1):D444–D456 (2025). DOI: 10.1093/nar/gkae1082',
72
+ homepage: 'https://www.ebi.ac.uk/interpro/',
73
+ },
74
+ GO: {
75
+ source: 'GO',
76
+ license: 'CC BY 4.0',
77
+ citation: 'Ashburner et al., "Gene Ontology: tool for the unification of biology," Nature Genetics 25:25–29 (2000). DOI: 10.1038/75556; Gene Ontology Consortium, "The Gene Ontology knowledgebase in 2026," Nucleic Acids Research 54(D1):D1779–D1792 (2026). DOI: 10.1093/nar/gkaf1292',
78
+ homepage: 'https://geneontology.org/',
79
+ },
80
+ };
81
+ const CURATED_NAMES = new Set(CURATED_SOURCES);
82
+ /**
83
+ * Honest fallback for an uncurated federated provider (AlphaFill, or any 3D-Beacons
84
+ * provider without a verified license entry). Asserts no license — better to point
85
+ * the consumer at the provider's own terms than to fabricate one.
86
+ */
87
+ function fallbackAttribution(source) {
88
+ return {
89
+ source,
90
+ license: 'See provider terms',
91
+ citation: 'Federated via 3D-Beacons — consult the provider for citation and license terms.',
92
+ homepage: 'https://3d-beacons.org/',
93
+ };
94
+ }
95
+ /**
96
+ * Project the source names that contributed to a response into a deduped
97
+ * attribution array. Curated names render first in {@link CURATED_SOURCES} order;
98
+ * any uncurated provider follows, alphabetized, each with an honest fallback entry.
99
+ * The ordering is caller-insertion-independent, so an identical contributing set
100
+ * always renders identically.
101
+ */
102
+ export function attributionsFor(sources) {
103
+ const wanted = new Set(sources);
104
+ const curated = CURATED_SOURCES.filter((s) => wanted.has(s)).map((s) => ATTRIBUTIONS[s]);
105
+ const uncurated = [...wanted]
106
+ .filter((s) => !CURATED_NAMES.has(s))
107
+ .sort()
108
+ .map(fallbackAttribution);
109
+ return [...curated, ...uncurated];
110
+ }
111
+ //# sourceMappingURL=attribution.js.map