@cyanheads/protein-mcp-server 0.8.2 → 0.8.3

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Files changed (45) hide show
  1. package/AGENTS.md +1 -1
  2. package/CLAUDE.md +1 -1
  3. package/README.md +10 -9
  4. package/changelog/0.8.x/0.8.2.md +7 -7
  5. package/changelog/0.8.x/0.8.3.md +23 -0
  6. package/dist/config/server-config.d.ts +2 -0
  7. package/dist/config/server-config.d.ts.map +1 -1
  8. package/dist/config/server-config.js +13 -1
  9. package/dist/config/server-config.js.map +1 -1
  10. package/dist/index.js +1 -1
  11. package/dist/index.js.map +1 -1
  12. package/dist/mcp-server/tools/definitions/analyze-collection.tool.js +2 -2
  13. package/dist/mcp-server/tools/definitions/analyze-collection.tool.js.map +1 -1
  14. package/dist/mcp-server/tools/definitions/compare-structures.tool.d.ts +10 -0
  15. package/dist/mcp-server/tools/definitions/compare-structures.tool.d.ts.map +1 -1
  16. package/dist/mcp-server/tools/definitions/compare-structures.tool.js +77 -11
  17. package/dist/mcp-server/tools/definitions/compare-structures.tool.js.map +1 -1
  18. package/dist/mcp-server/tools/definitions/find-similar.tool.d.ts.map +1 -1
  19. package/dist/mcp-server/tools/definitions/find-similar.tool.js +14 -6
  20. package/dist/mcp-server/tools/definitions/find-similar.tool.js.map +1 -1
  21. package/dist/mcp-server/tools/definitions/get-structure.tool.d.ts.map +1 -1
  22. package/dist/mcp-server/tools/definitions/get-structure.tool.js +84 -36
  23. package/dist/mcp-server/tools/definitions/get-structure.tool.js.map +1 -1
  24. package/dist/mcp-server/tools/definitions/search-structures.tool.d.ts.map +1 -1
  25. package/dist/mcp-server/tools/definitions/search-structures.tool.js +22 -17
  26. package/dist/mcp-server/tools/definitions/search-structures.tool.js.map +1 -1
  27. package/dist/mcp-server/tools/definitions/track-ligands.tool.d.ts.map +1 -1
  28. package/dist/mcp-server/tools/definitions/track-ligands.tool.js +5 -2
  29. package/dist/mcp-server/tools/definitions/track-ligands.tool.js.map +1 -1
  30. package/dist/services/alignment/alignment-service.d.ts +17 -4
  31. package/dist/services/alignment/alignment-service.d.ts.map +1 -1
  32. package/dist/services/alignment/alignment-service.js +31 -21
  33. package/dist/services/alignment/alignment-service.js.map +1 -1
  34. package/dist/services/rcsb/rcsb-service.d.ts +13 -3
  35. package/dist/services/rcsb/rcsb-service.d.ts.map +1 -1
  36. package/dist/services/rcsb/rcsb-service.js +35 -5
  37. package/dist/services/rcsb/rcsb-service.js.map +1 -1
  38. package/dist/services/rcsb/types.d.ts +21 -0
  39. package/dist/services/rcsb/types.d.ts.map +1 -1
  40. package/dist/services/shared/identifiers.d.ts +8 -1
  41. package/dist/services/shared/identifiers.d.ts.map +1 -1
  42. package/dist/services/shared/identifiers.js +12 -1
  43. package/dist/services/shared/identifiers.js.map +1 -1
  44. package/package.json +1 -1
  45. package/server.json +3 -3
@@ -14,6 +14,13 @@ export declare function isUniProtAccession(value: string): boolean;
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  export declare function isAlphaFoldEntryId(value: string): boolean;
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  /** True when `value` is a syntactically valid PDB entry ID. */
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  export declare function isPdbId(value: string): boolean;
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- /** Extract the PDB entry ID from a polymer-entity ID (`4HHB_1` `4HHB`). */
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+ /** True when `value` is an RCSB computed-model ID (`AF_*` AlphaFold / `MA_*` ModelArchive). */
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+ export declare function isComputedModelId(value: string): boolean;
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+ /**
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+ * Extract the entry ID from a polymer-entity ID (`4HHB_1` → `4HHB`). A
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+ * computed-model ID carries its own underscore after the `AF_`/`MA_` prefix, so
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+ * only its trailing `_<entity number>` is stripped (`AF_AFP69905F1_1` →
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+ * `AF_AFP69905F1`); a bare computed-model entry ID passes through.
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+ */
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  export declare function entryIdOf(identifier: string): string;
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  //# sourceMappingURL=identifiers.d.ts.map
@@ -1 +1 @@
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- {"version":3,"file":"identifiers.d.ts","sourceRoot":"","sources":["../../../src/services/shared/identifiers.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAcH,oEAAoE;AACpE,wBAAgB,kBAAkB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO,CAEzD;AAED;;;;;GAKG;AACH,wBAAgB,kBAAkB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO,CAEzD;AAED,+DAA+D;AAC/D,wBAAgB,OAAO,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO,CAE9C;AAED,6EAA6E;AAC7E,wBAAgB,SAAS,CAAC,UAAU,EAAE,MAAM,GAAG,MAAM,CAGpD"}
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+ {"version":3,"file":"identifiers.d.ts","sourceRoot":"","sources":["../../../src/services/shared/identifiers.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAcH,oEAAoE;AACpE,wBAAgB,kBAAkB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO,CAEzD;AAED;;;;;GAKG;AACH,wBAAgB,kBAAkB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO,CAEzD;AAED,+DAA+D;AAC/D,wBAAgB,OAAO,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO,CAE9C;AAED,+FAA+F;AAC/F,wBAAgB,iBAAiB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO,CAExD;AAED;;;;;GAKG;AACH,wBAAgB,SAAS,CAAC,UAAU,EAAE,MAAM,GAAG,MAAM,CAIpD"}
@@ -28,8 +28,19 @@ export function isAlphaFoldEntryId(value) {
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  export function isPdbId(value) {
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  return PDB_RE.test(value.trim());
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  }
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- /** Extract the PDB entry ID from a polymer-entity ID (`4HHB_1` `4HHB`). */
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+ /** True when `value` is an RCSB computed-model ID (`AF_*` AlphaFold / `MA_*` ModelArchive). */
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+ export function isComputedModelId(value) {
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+ return /^(AF|MA)_/i.test(value);
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+ }
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+ /**
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+ * Extract the entry ID from a polymer-entity ID (`4HHB_1` → `4HHB`). A
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+ * computed-model ID carries its own underscore after the `AF_`/`MA_` prefix, so
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+ * only its trailing `_<entity number>` is stripped (`AF_AFP69905F1_1` →
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+ * `AF_AFP69905F1`); a bare computed-model entry ID passes through.
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+ */
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  export function entryIdOf(identifier) {
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+ if (isComputedModelId(identifier))
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+ return identifier.replace(/_\d+$/, '').toUpperCase();
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  const base = identifier.split(/[_.]/)[0] ?? identifier;
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  return base.toUpperCase();
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  }
@@ -1 +1 @@
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- {"version":3,"file":"identifiers.js","sourceRoot":"","sources":["../../../src/services/shared/identifiers.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,qEAAqE;AACrE,MAAM,YAAY,GAAG,4EAA4E,CAAC;AAElG,4DAA4D;AAC5D,MAAM,UAAU,GAAG,IAAI,MAAM,CAAC,IAAI,YAAY,GAAG,EAAE,GAAG,CAAC,CAAC;AAExD,uFAAuF;AACvF,MAAM,WAAW,GAAG,IAAI,MAAM,CAAC,OAAO,YAAY,SAAS,EAAE,GAAG,CAAC,CAAC;AAElE,wFAAwF;AACxF,MAAM,MAAM,GAAG,uBAAuB,CAAC;AAEvC,oEAAoE;AACpE,MAAM,UAAU,kBAAkB,CAAC,KAAa;IAC9C,OAAO,UAAU,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;AACvC,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,kBAAkB,CAAC,KAAa;IAC9C,OAAO,WAAW,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;AACxC,CAAC;AAED,+DAA+D;AAC/D,MAAM,UAAU,OAAO,CAAC,KAAa;IACnC,OAAO,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;AACnC,CAAC;AAED,6EAA6E;AAC7E,MAAM,UAAU,SAAS,CAAC,UAAkB;IAC1C,MAAM,IAAI,GAAG,UAAU,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,IAAI,UAAU,CAAC;IACvD,OAAO,IAAI,CAAC,WAAW,EAAE,CAAC;AAC5B,CAAC"}
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+ {"version":3,"file":"identifiers.js","sourceRoot":"","sources":["../../../src/services/shared/identifiers.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,qEAAqE;AACrE,MAAM,YAAY,GAAG,4EAA4E,CAAC;AAElG,4DAA4D;AAC5D,MAAM,UAAU,GAAG,IAAI,MAAM,CAAC,IAAI,YAAY,GAAG,EAAE,GAAG,CAAC,CAAC;AAExD,uFAAuF;AACvF,MAAM,WAAW,GAAG,IAAI,MAAM,CAAC,OAAO,YAAY,SAAS,EAAE,GAAG,CAAC,CAAC;AAElE,wFAAwF;AACxF,MAAM,MAAM,GAAG,uBAAuB,CAAC;AAEvC,oEAAoE;AACpE,MAAM,UAAU,kBAAkB,CAAC,KAAa;IAC9C,OAAO,UAAU,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;AACvC,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,kBAAkB,CAAC,KAAa;IAC9C,OAAO,WAAW,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;AACxC,CAAC;AAED,+DAA+D;AAC/D,MAAM,UAAU,OAAO,CAAC,KAAa;IACnC,OAAO,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;AACnC,CAAC;AAED,+FAA+F;AAC/F,MAAM,UAAU,iBAAiB,CAAC,KAAa;IAC7C,OAAO,YAAY,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;AAClC,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,SAAS,CAAC,UAAkB;IAC1C,IAAI,iBAAiB,CAAC,UAAU,CAAC;QAAE,OAAO,UAAU,CAAC,OAAO,CAAC,OAAO,EAAE,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;IACxF,MAAM,IAAI,GAAG,UAAU,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,IAAI,UAAU,CAAC;IACvD,OAAO,IAAI,CAAC,WAAW,EAAE,CAAC;AAC5B,CAAC"}
package/package.json CHANGED
@@ -1,6 +1,6 @@
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  {
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  "name": "@cyanheads/protein-mcp-server",
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- "version": "0.8.2",
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+ "version": "0.8.3",
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  "mcpName": "io.github.cyanheads/protein-mcp-server",
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  "description": "Federated protein structure & annotation across experimental (PDB) and predicted (AlphaFold) models via MCP. STDIO or Streamable HTTP.",
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  "type": "module",
package/server.json CHANGED
@@ -6,7 +6,7 @@
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  "url": "https://github.com/cyanheads/protein-mcp-server",
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  "source": "github"
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  },
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- "version": "0.8.2",
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+ "version": "0.8.3",
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  "remotes": [
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  {
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  "type": "streamable-http",
@@ -19,7 +19,7 @@
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  "registryBaseUrl": "https://registry.npmjs.org",
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  "identifier": "@cyanheads/protein-mcp-server",
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  "runtimeHint": "node",
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- "version": "0.8.2",
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+ "version": "0.8.3",
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  "packageArguments": [
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  {
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  "type": "positional",
@@ -48,7 +48,7 @@
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  "registryBaseUrl": "https://registry.npmjs.org",
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  "identifier": "@cyanheads/protein-mcp-server",
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  "runtimeHint": "node",
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- "version": "0.8.2",
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+ "version": "0.8.3",
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  "packageArguments": [
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  {
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  "type": "positional",