@cyanheads/protein-mcp-server 0.2.0 → 0.2.1
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.
- package/AGENTS.md +1 -1
- package/CLAUDE.md +1 -1
- package/README.md +1 -1
- package/changelog/0.2.x/0.2.1.md +16 -0
- package/dist/mcp-server/tools/definitions/_schemas.d.ts +1 -0
- package/dist/mcp-server/tools/definitions/_schemas.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/_schemas.js +6 -1
- package/dist/mcp-server/tools/definitions/_schemas.js.map +1 -1
- package/dist/mcp-server/tools/definitions/analyze-collection.tool.d.ts +1 -0
- package/dist/mcp-server/tools/definitions/analyze-collection.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/analyze-collection.tool.js +3 -1
- package/dist/mcp-server/tools/definitions/analyze-collection.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/find-similar.tool.js +7 -5
- package/dist/mcp-server/tools/definitions/find-similar.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-annotations.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-annotations.tool.js +4 -2
- package/dist/mcp-server/tools/definitions/get-annotations.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-structure.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-structure.tool.js +3 -3
- package/dist/mcp-server/tools/definitions/get-structure.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/search-structures.tool.d.ts +1 -0
- package/dist/mcp-server/tools/definitions/search-structures.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/search-structures.tool.js +3 -1
- package/dist/mcp-server/tools/definitions/search-structures.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/track-ligands.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/track-ligands.tool.js +16 -4
- package/dist/mcp-server/tools/definitions/track-ligands.tool.js.map +1 -1
- package/package.json +1 -1
- package/server.json +3 -3
package/AGENTS.md
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@@ -1,7 +1,7 @@
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# Developer Protocol
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**Server:** protein-mcp-server
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**Version:** 0.2.
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**Version:** 0.2.1
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**Framework:** [@cyanheads/mcp-ts-core](https://www.npmjs.com/package/@cyanheads/mcp-ts-core) `^0.10.10`
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**Engines:** Bun ≥1.3.0, Node ≥24.0.0
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**MCP SDK:** `@modelcontextprotocol/sdk` ^1.29.0
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package/CLAUDE.md
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# Developer Protocol
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**Server:** protein-mcp-server
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**Version:** 0.2.
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**Version:** 0.2.1
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**Framework:** [@cyanheads/mcp-ts-core](https://www.npmjs.com/package/@cyanheads/mcp-ts-core) `^0.10.10`
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**Engines:** Bun ≥1.3.0, Node ≥24.0.0
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**MCP SDK:** `@modelcontextprotocol/sdk` ^1.29.0
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package/README.md
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<div align="center">
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[](./CHANGELOG.md) [](./LICENSE) [](https://github.com/users/cyanheads/packages/container/package/protein-mcp-server) [](https://modelcontextprotocol.io/) [](https://www.npmjs.com/package/@cyanheads/protein-mcp-server) [](https://www.typescriptlang.org/) [](https://bun.sh/)
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</div>
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---
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summary: "Nested cross-tab facet children now carry a truncated flag; declared error recovery hints reach the wire; protein_track_ligands binding_site honors limit."
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breaking: false
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security: false
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---
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# 0.2.1 — 2026-07-03
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## Added
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- **`protein_analyze_collection` / `protein_search_structures`** — nested cross-tab facet child dimensions now carry a `truncated` boolean when their bucket list is capped by `bucket_limit`; `renderFacets` appends `(truncated)` to the nested line in `content[]`. ([#13](https://github.com/cyanheads/protein-mcp-server/issues/13))
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## Fixed
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- **`protein_track_ligands` `binding_site`** — now caps returned instances to `limit` and emits a truncation notice, instead of returning every instance regardless of `limit`. ([#9](https://github.com/cyanheads/protein-mcp-server/issues/9))
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- **Declared recovery hints** — `errors[].recovery` now reaches the wire (`data.recovery.hint`, mirrored into `content[]`) at throw sites across `protein_search_structures`, `protein_get_annotations`, `protein_get_structure`, `protein_find_similar`, `protein_track_ligands`, and `protein_analyze_collection`. ([#10](https://github.com/cyanheads/protein-mcp-server/issues/10))
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@@ -1 +1 @@
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{"version":3,"file":"_schemas.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/_schemas.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAC3C,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,0BAA0B,CAAC;
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{"version":3,"file":"_schemas.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/_schemas.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAC3C,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,0BAA0B,CAAC;AAoC/D,yCAAyC;AACzC,eAAO,MAAM,oBAAoB;;;;;;;;;;;;;;;iBAW4B,CAAC;AAE9D,MAAM,MAAM,oBAAoB,GAAG,CAAC,CAAC,KAAK,CAAC,OAAO,oBAAoB,CAAC,CAAC;AAExE,oFAAoF;AACpF,wBAAgB,aAAa,CAAC,KAAK,EAAE,cAAc,EAAE,GAAG,EAAE,MAAM,GAAG,oBAAoB,CAmBtF;AAED,iFAAiF;AACjF,wBAAgB,YAAY,CAAC,MAAM,EAAE,oBAAoB,EAAE,GAAG,MAAM,EAAE,CAarE"}
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@@ -18,6 +18,10 @@ const childDimensionSchema = z
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.object({
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dimension: z.string().describe('Nested dimension name.'),
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buckets: z.array(leafBucketSchema).describe('Nested buckets within the parent bucket.'),
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truncated: z
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.boolean()
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.optional()
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.describe('True when this nested bucket list was capped by the per-dimension bucket limit.'),
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})
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.describe('A nested cross-tab dimension within a parent bucket.');
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/** A top-level facet bucket, optionally carrying a nested cross-tab dimension. */
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children: b.children.map((c) => ({
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dimension: c.dimension,
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buckets: c.buckets.slice(0, cap).map((cb) => ({ label: cb.label, count: cb.count })),
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...(c.buckets.length > cap ? { truncated: true } : {}),
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})),
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}
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: {}),
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lines.push(`- ${b.label}: ${b.count}`);
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for (const c of b.children ?? []) {
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const inner = c.buckets.map((cb) => `${cb.label}: ${cb.count}`).join(', ');
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lines.push(` - ${c.dimension} → ${inner}`);
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lines.push(` - ${c.dimension} → ${inner}${c.truncated ? ' (truncated)' : ''}`);
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}
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}
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}
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{"version":3,"file":"_schemas.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/_schemas.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAG3C,kCAAkC;AAClC,MAAM,gBAAgB,GAAG,CAAC;KACvB,MAAM,CAAC;IACN,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wDAAwD,CAAC;IACpF,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,kCAAkC,CAAC;CAC/D,CAAC;KACD,QAAQ,CAAC,yDAAyD,CAAC,CAAC;AAEvE,kEAAkE;AAClE,MAAM,oBAAoB,GAAG,CAAC;KAC3B,MAAM,CAAC;IACN,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wBAAwB,CAAC;IACxD,OAAO,EAAE,CAAC,CAAC,KAAK,CAAC,gBAAgB,CAAC,CAAC,QAAQ,CAAC,0CAA0C,CAAC;
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{"version":3,"file":"_schemas.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/_schemas.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAG3C,kCAAkC;AAClC,MAAM,gBAAgB,GAAG,CAAC;KACvB,MAAM,CAAC;IACN,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wDAAwD,CAAC;IACpF,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,kCAAkC,CAAC;CAC/D,CAAC;KACD,QAAQ,CAAC,yDAAyD,CAAC,CAAC;AAEvE,kEAAkE;AAClE,MAAM,oBAAoB,GAAG,CAAC;KAC3B,MAAM,CAAC;IACN,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wBAAwB,CAAC;IACxD,OAAO,EAAE,CAAC,CAAC,KAAK,CAAC,gBAAgB,CAAC,CAAC,QAAQ,CAAC,0CAA0C,CAAC;IACvF,SAAS,EAAE,CAAC;SACT,OAAO,EAAE;SACT,QAAQ,EAAE;SACV,QAAQ,CAAC,iFAAiF,CAAC;CAC/F,CAAC;KACD,QAAQ,CAAC,sDAAsD,CAAC,CAAC;AAEpE,kFAAkF;AAClF,MAAM,YAAY,GAAG,CAAC;KACnB,MAAM,CAAC;IACN,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wDAAwD,CAAC;IACpF,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,kCAAkC,CAAC;IAC9D,QAAQ,EAAE,CAAC;SACR,KAAK,CAAC,oBAAoB,CAAC;SAC3B,QAAQ,EAAE;SACV,QAAQ,CACP,uFAAuF,CACxF;CACJ,CAAC;KACD,QAAQ,CAAC,gFAAgF,CAAC,CAAC;AAE9F,yCAAyC;AACzC,MAAM,CAAC,MAAM,oBAAoB,GAAG,CAAC;KAClC,MAAM,CAAC;IACN,SAAS,EAAE,CAAC;SACT,MAAM,EAAE;SACR,QAAQ,CAAC,gEAAgE,CAAC;IAC7E,OAAO,EAAE,CAAC,CAAC,KAAK,CAAC,YAAY,CAAC,CAAC,QAAQ,CAAC,kDAAkD,CAAC;IAC3F,SAAS,EAAE,CAAC;SACT,OAAO,EAAE;SACT,QAAQ,EAAE;SACV,QAAQ,CAAC,kEAAkE,CAAC;CAChF,CAAC;KACD,QAAQ,CAAC,gDAAgD,CAAC,CAAC;AAI9D,oFAAoF;AACpF,MAAM,UAAU,aAAa,CAAC,KAAqB,EAAE,GAAW;IAC9D,MAAM,SAAS,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,GAAG,GAAG,CAAC;IAC7C,OAAO;QACL,SAAS,EAAE,KAAK,CAAC,SAAS;QAC1B,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAC/C,KAAK,EAAE,CAAC,CAAC,KAAK;YACd,KAAK,EAAE,CAAC,CAAC,KAAK;YACd,GAAG,CAAC,CAAC,CAAC,QAAQ;gBACZ,CAAC,CAAC;oBACE,QAAQ,EAAE,CAAC,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;wBAC/B,SAAS,EAAE,CAAC,CAAC,SAAS;wBACtB,OAAO,EAAE,CAAC,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,KAAK,EAAE,EAAE,CAAC,KAAK,EAAE,KAAK,EAAE,EAAE,CAAC,KAAK,EAAE,CAAC,CAAC;wBACpF,GAAG,CAAC,CAAC,CAAC,OAAO,CAAC,MAAM,GAAG,GAAG,CAAC,CAAC,CAAC,EAAE,SAAS,EAAE,IAAI,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;qBACvD,CAAC,CAAC;iBACJ;gBACH,CAAC,CAAC,EAAE,CAAC;SACR,CAAC,CAAC;QACH,GAAG,CAAC,SAAS,CAAC,CAAC,CAAC,EAAE,SAAS,EAAE,IAAI,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;KAC1C,CAAC;AACJ,CAAC;AAED,iFAAiF;AACjF,MAAM,UAAU,YAAY,CAAC,MAA8B;IACzD,MAAM,KAAK,GAAa,EAAE,CAAC;IAC3B,KAAK,MAAM,CAAC,IAAI,MAAM,EAAE,CAAC;QACvB,KAAK,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC,SAAS,KAAK,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,cAAc,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;QACvE,KAAK,MAAM,CAAC,IAAI,CAAC,CAAC,OAAO,EAAE,CAAC;YAC1B,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,KAAK,KAAK,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC;YACvC,KAAK,MAAM,CAAC,IAAI,CAAC,CAAC,QAAQ,IAAI,EAAE,EAAE,CAAC;gBACjC,MAAM,KAAK,GAAG,CAAC,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,EAAE,EAAE,EAAE,CAAC,GAAG,EAAE,CAAC,KAAK,KAAK,EAAE,CAAC,KAAK,EAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;gBAC3E,KAAK,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC,SAAS,MAAM,KAAK,GAAG,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,cAAc,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAClF,CAAC;QACH,CAAC;IACH,CAAC;IACD,OAAO,KAAK,CAAC;AACf,CAAC"}
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label: z.ZodString;
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count: z.ZodNumber;
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}, z.core.$strip>>;
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truncated: z.ZodOptional<z.ZodBoolean>;
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}, z.core.$strip>>>;
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}, z.core.$strip>>;
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{"version":3,"file":"analyze-collection.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/analyze-collection.tool.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAOjE,eAAO,MAAM,iBAAiB
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{"version":3,"file":"analyze-collection.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/analyze-collection.tool.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAOjE,eAAO,MAAM,iBAAiB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EAyH5B,CAAC"}
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const [primary, secondary] = input.group_by;
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throw ctx.fail('unknown_dimension', 'group_by requires at least one dimension.'
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throw ctx.fail('unknown_dimension', 'group_by requires at least one dimension.', {
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...ctx.recoveryFor('unknown_dimension'),
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});
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const { total, facets } = await rcsb.analyzeFacets({
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...(input.query ? { text: input.query } : {}),
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-
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|
|
1
|
+
{"version":3,"file":"analyze-collection.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/analyze-collection.tool.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE,OAAO,EAAE,eAAe,EAAE,MAAM,2BAA2B,CAAC;AAC5D,OAAO,EAAE,cAAc,EAAE,qBAAqB,EAAE,MAAM,2BAA2B,CAAC;AAClF,OAAO,EAAE,cAAc,EAAE,MAAM,iCAAiC,CAAC;AAEjE,OAAO,EAAE,oBAAoB,EAAE,YAAY,EAAE,aAAa,EAAE,MAAM,eAAe,CAAC;AAElF,MAAM,CAAC,MAAM,iBAAiB,GAAG,IAAI,CAAC,4BAA4B,EAAE;IAClE,KAAK,EAAE,wCAAwC;IAC/C,WAAW,EACT,kGAAkG;QAClG,wGAAwG;QACxG,uGAAuG;QACvG,wGAAwG;QACxG,mDAAmD;IACrD,WAAW,EAAE,EAAE,YAAY,EAAE,IAAI,EAAE,aAAa,EAAE,IAAI,EAAE;IAExD,MAAM,EAAE;QACN;YACE,MAAM,EAAE,mBAAmB;YAC3B,IAAI,EAAE,gBAAgB,CAAC,aAAa;YACpC,IAAI,EAAE,0DAA0D;YAChE,QAAQ,EACN,2GAA2G;SAC9G;KACF;IAED,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,QAAQ,EAAE,CAAC;aACR,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,qBAAqB,CAAC,CAAC;aACpC,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,CAAC,CAAC;aACN,QAAQ,CAAC,iFAAiF,CAAC;QAC9F,KAAK,EAAE,CAAC;aACL,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,0EAA0E,CAAC;QACvF,QAAQ,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,iCAAiC,CAAC;QAC3E,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,qCAAqC,CAAC;QAC7E,cAAc,EAAE,CAAC;aACd,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,EAAE;aACV,QAAQ,CAAC,wCAAwC,CAAC;QACrD,YAAY,EAAE,CAAC;aACZ,IAAI,CAAC,CAAC,cAAc,EAAE,WAAW,EAAE,KAAK,CAAC,CAAC;aAC1C,OAAO,CAAC,cAAc,CAAC;aACvB,QAAQ,CAAC,4DAA4D,CAAC;QACzE,QAAQ,EAAE,CAAC;aACR,KAAK,CAAC;YACL,CAAC;iBACE,MAAM,EAAE;iBACR,QAAQ,EAAE;iBACV,QAAQ,CAAC,8DAA8D,CAAC;YAC3E,CAAC,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,OAAO,EAAE,SAAS,CAAC,CAAC,CAAC,QAAQ,CAAC,0CAA0C,CAAC;SAC1F,CAAC;aACD,QAAQ,EAAE;aACV,QAAQ,CACP,mGAAmG,CACpG;QACH,YAAY,EAAE,CAAC;aACZ,MAAM,EAAE;aACR,GAAG,EAAE;aACL,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,GAAG,CAAC;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,6EAA6E,CAAC;KAC3F,CAAC;IAEF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,yCAAyC,CAAC;QACrE,MAAM,EAAE,CAAC,CAAC,KAAK,CAAC,oBAAoB,CAAC,CAAC,QAAQ,CAAC,6BAA6B,CAAC;KAC9E,CAAC;IAEF,UAAU,EAAE;QACV,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,+CAA+C,CAAC;QACtF,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sDAAsD,CAAC;KAC/F;IAED,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,GAAG,GAAG,eAAe,EAAE,CAAC;QAC9B,MAAM,IAAI,GAAG,cAAc,EAAE,CAAC;QAC9B,MAAM,GAAG,GAAG,KAAK,CAAC,YAAY,IAAI,GAAG,CAAC,cAAc,CAAC;QACrD,MAAM,WAAW,GACf,KAAK,CAAC,YAAY,KAAK,KAAK;YAC1B,CAAC,CAAC,SAAS;YACX,CAAC,CAAC,KAAK,CAAC,YAAY,KAAK,WAAW;gBAClC,CAAC,CAAC,eAAe;gBACjB,CAAC,CAAC,cAAc,CAAC;QAEvB,MAAM,CAAC,OAAO,EAAE,SAAS,CAAC,GAAG,KAAK,CAAC,QAAQ,CAAC;QAC5C,IAAI,CAAC,OAAO;YACV,MAAM,GAAG,CAAC,IAAI,CAAC,mBAAmB,EAAE,2CAA2C,EAAE;gBAC/E,GAAG,GAAG,CAAC,WAAW,CAAC,mBAAmB,CAAC;aACxC,CAAC,CAAC;QACL,MAAM,IAAI,GAAG,cAAc,CAAC,OAAO,EAAE,KAAK,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;QAEhE,MAAM,EAAE,KAAK,EAAE,MAAM,EAAE,GAAG,MAAM,IAAI,CAAC,aAAa,CAChD;YACE,GAAG,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,EAAE,KAAK,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;YAC7C,GAAG,CAAC,KAAK,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,QAAQ,EAAE,KAAK,CAAC,QAAQ,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;YACvD,GAAG,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,MAAM,EAAE,KAAK,CAAC,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;YACjD,GAAG,CAAC,OAAO,KAAK,CAAC,cAAc,KAAK,QAAQ;gBAC1C,CAAC,CAAC,EAAE,aAAa,EAAE,KAAK,CAAC,cAAc,EAAE;gBACzC,CAAC,CAAC,EAAE,CAAC;YACP,GAAG,CAAC,WAAW,CAAC,CAAC,CAAC,EAAE,WAAW,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;SACxC,EACD,CAAC,IAAI,CAAC,EACN,GAAG,CACJ,CAAC;QAEF,MAAM,GAAG,GAAG,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,aAAa,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC,CAAC;QACrD,IAAI,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,SAAS,CAAC,EAAE,CAAC;YACjC,GAAG,CAAC,MAAM,CAAC,MAAM,CACf,mCAAmC,GAAG,sEAAsE,CAC7G,CAAC;QACJ,CAAC;QACD,MAAM,SAAS,GAAG,CAAC,KAAK,CAAC,KAAK,EAAE,KAAK,CAAC,QAAQ,EAAE,KAAK,CAAC,MAAM,CAAC,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC;QAC9E,IAAI,SAAS,CAAC,MAAM,GAAG,CAAC;YAAE,GAAG,CAAC,MAAM,CAAC,EAAE,KAAK,EAAE,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC;QAEvE,OAAO,EAAE,KAAK,EAAE,MAAM,EAAE,GAAG,EAAE,CAAC;IAChC,CAAC;IAED,MAAM,EAAE,CAAC,MAAM,EAAE,EAAE;QACjB,MAAM,KAAK,GAAa,CAAC,2BAA2B,MAAM,CAAC,KAAK,UAAU,CAAC,CAAC;QAC5E,KAAK,CAAC,IAAI,CAAC,GAAG,YAAY,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC;QAC3C,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACpD,CAAC;CACF,CAAC,CAAC"}
|
|
@@ -253,16 +253,18 @@ async function resolveSequence(input, ctx) {
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|
253
253
|
if (input.pdb_id) {
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|
const seq = await getRcsbService().getSequence(input.pdb_id, ctx);
|
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255
255
|
if (!seq)
|
|
256
|
-
throw ctx.fail('no_sequence', `No protein sequence found for PDB entry ${input.pdb_id.toUpperCase()}
|
|
256
|
+
throw ctx.fail('no_sequence', `No protein sequence found for PDB entry ${input.pdb_id.toUpperCase()}.`, { ...ctx.recoveryFor('no_sequence') });
|
|
257
257
|
return seq.sequence;
|
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258
|
}
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|
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259
|
if (input.uniprot) {
|
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260
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|
const seq = await getUniProtService().getSequence(input.uniprot, ctx);
|
|
261
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|
if (!seq)
|
|
262
|
-
throw ctx.fail('no_sequence', `No sequence found for UniProt accession ${input.uniprot.toUpperCase()}
|
|
262
|
+
throw ctx.fail('no_sequence', `No sequence found for UniProt accession ${input.uniprot.toUpperCase()}.`, { ...ctx.recoveryFor('no_sequence') });
|
|
263
263
|
return seq;
|
|
264
264
|
}
|
|
265
|
-
throw ctx.fail('missing_query', 'Provide a sequence, pdb_id, or uniprot to search from.'
|
|
265
|
+
throw ctx.fail('missing_query', 'Provide a sequence, pdb_id, or uniprot to search from.', {
|
|
266
|
+
...ctx.recoveryFor('missing_query'),
|
|
267
|
+
});
|
|
266
268
|
}
|
|
267
269
|
/** Resolve a query coordinate file (PDB-format text) from a PDB ID or UniProt accession. */
|
|
268
270
|
async function resolveCoordinateFile(input, ctx) {
|
|
@@ -275,14 +277,14 @@ async function resolveCoordinateFile(input, ctx) {
|
|
|
275
277
|
if (input.uniprot && isUniProtAccession(input.uniprot)) {
|
|
276
278
|
const model = await getAlphaFoldService().getPrediction(input.uniprot, ctx);
|
|
277
279
|
if (!model?.pdbUrl) {
|
|
278
|
-
throw ctx.fail('no_sequence', `No predicted model with coordinates found for ${input.uniprot.toUpperCase()}
|
|
280
|
+
throw ctx.fail('no_sequence', `No predicted model with coordinates found for ${input.uniprot.toUpperCase()}.`, { ...ctx.recoveryFor('no_sequence') });
|
|
279
281
|
}
|
|
280
282
|
return {
|
|
281
283
|
content: await fetchCoordinateText(model.pdbUrl, ctx),
|
|
282
284
|
fileName: `${input.uniprot.toUpperCase()}.pdb`,
|
|
283
285
|
};
|
|
284
286
|
}
|
|
285
|
-
throw ctx.fail('missing_query', 'by:structure requires a pdb_id or uniprot accession to derive coordinates.');
|
|
287
|
+
throw ctx.fail('missing_query', 'by:structure requires a pdb_id or uniprot accession to derive coordinates.', { ...ctx.recoveryFor('missing_query') });
|
|
286
288
|
}
|
|
287
289
|
function fetchCoordinateText(url, ctx) {
|
|
288
290
|
return fetchText(url, ctx, {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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-
{"version":3,"file":"get-annotations.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-annotations.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AA4CjE,eAAO,MAAM,cAAc;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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1
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+
{"version":3,"file":"get-annotations.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-annotations.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AA4CjE,eAAO,MAAM,cAAc;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EA2IzB,CAAC"}
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@@ -98,10 +98,12 @@ export const getAnnotations = tool('protein_get_annotations', {
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|
98
98
|
resolvedFrom = input.pdb_id.toUpperCase();
|
|
99
99
|
}
|
|
100
100
|
if (!accession) {
|
|
101
|
-
throw ctx.fail('no_uniprot_mapping', 'Provide a UniProt accession, or a PDB ID with a modeled protein chain.');
|
|
101
|
+
throw ctx.fail('no_uniprot_mapping', 'Provide a UniProt accession, or a PDB ID with a modeled protein chain.', { ...ctx.recoveryFor('no_uniprot_mapping') });
|
|
102
102
|
}
|
|
103
103
|
if (!isUniProtAccession(accession)) {
|
|
104
|
-
throw ctx.fail('no_uniprot_mapping', `"${accession}" is not a valid UniProt accession
|
|
104
|
+
throw ctx.fail('no_uniprot_mapping', `"${accession}" is not a valid UniProt accession.`, {
|
|
105
|
+
...ctx.recoveryFor('no_uniprot_mapping'),
|
|
106
|
+
});
|
|
105
107
|
}
|
|
106
108
|
const include = input.include;
|
|
107
109
|
const wantInterPro = include === 'domains' || include === 'all';
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"get-annotations.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-annotations.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE,OAAO,EAAE,cAAc,EAAE,MAAM,iCAAiC,CAAC;AACjE,OAAO,EAAE,kBAAkB,EAAE,MAAM,kCAAkC,CAAC;AAMtE,OAAO,EAAE,iBAAiB,EAAE,MAAM,uCAAuC,CAAC;AAE1E,MAAM,aAAa,GAAG,CAAC;KACpB,MAAM,CAAC;IACN,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6DAA6D,CAAC;IACxF,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;IACnE,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,0BAA0B,CAAC;IACjE,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,wBAAwB,CAAC;CAC9D,CAAC;KACD,QAAQ,CAAC,6DAA6D,CAAC,CAAC;AAE3E,MAAM,YAAY,GAAG,CAAC;KACnB,MAAM,CAAC;IACN,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sCAAsC,CAAC;IACtE,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,qBAAqB,CAAC;IAChD,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,2DAA2D,CAAC;IACtF,eAAe,EAAE,CAAC;SACf,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC;SACjB,QAAQ,CAAC,qDAAqD,CAAC;IAClE,OAAO,EAAE,CAAC;SACP,KAAK,CACJ,CAAC;SACE,MAAM,CAAC;QACN,EAAE,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,+BAA+B,CAAC;QACxD,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,eAAe,CAAC;QAC1C,QAAQ,EAAE,CAAC;aACR,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,wDAAwD,CAAC;KACtE,CAAC;SACD,QAAQ,CAAC,mCAAmC,CAAC,CACjD;SACA,QAAQ,CAAC,sBAAsB,CAAC;CACpC,CAAC;KACD,QAAQ,CAAC,qDAAqD,CAAC,CAAC;AAEnE,MAAM,CAAC,MAAM,cAAc,GAAG,IAAI,CAAC,yBAAyB,EAAE;IAC5D,KAAK,EAAE,qCAAqC;IAC5C,WAAW,EACT,qGAAqG;QACrG,uGAAuG;QACvG,wGAAwG;QACxG,sGAAsG;IACxG,WAAW,EAAE,EAAE,YAAY,EAAE,IAAI,EAAE,aAAa,EAAE,IAAI,EAAE;IAExD,MAAM,EAAE;QACN;YACE,MAAM,EAAE,oBAAoB;YAC5B,IAAI,EAAE,gBAAgB,CAAC,QAAQ;YAC/B,IAAI,EAAE,qHAAqH;YAC3H,QAAQ,EACN,uHAAuH;SAC1H;KACF;IAED,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,OAAO,EAAE,CAAC;aACP,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,gEAAgE,CAAC;QAC7E,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,oEAAoE,CAAC;QACjF,OAAO,EAAE,CAAC;aACP,IAAI,CAAC,CAAC,UAAU,EAAE,SAAS,EAAE,UAAU,EAAE,KAAK,CAAC,CAAC;aAChD,OAAO,CAAC,KAAK,CAAC;aACd,QAAQ,CACP,oFAAoF,CACrF;KACJ,CAAC;IAEF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6CAA6C,CAAC;QAC7E,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,2BAA2B,CAAC;QACxE,SAAS,EAAE,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,CAAC,QAAQ,CAAC,aAAa,CAAC;QACtD,QAAQ,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,kCAAkC,CAAC;QAC5E,QAAQ,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,2BAA2B,CAAC;QACrE,cAAc,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,8BAA8B,CAAC;QAC9E,QAAQ,EAAE,CAAC,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,iCAAiC,CAAC;QACvF,QAAQ,EAAE,CAAC,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,4BAA4B,CAAC;QAClF,OAAO,EAAE,CAAC,CAAC,KAAK,CAAC,YAAY,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,qCAAqC,CAAC;KAC1F,CAAC;IAEF,UAAU,EAAE;QACV,YAAY,EAAE,CAAC;aACZ,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,0DAA0D,CAAC;QACvE,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,2CAA2C,CAAC;KACpF;IAED,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,OAAO,GAAG,iBAAiB,EAAE,CAAC;QACpC,MAAM,IAAI,GAAG,cAAc,EAAE,CAAC;QAE9B,IAAI,SAAS,GAAG,KAAK,CAAC,OAAO,EAAE,WAAW,EAAE,CAAC;QAC7C,IAAI,YAAgC,CAAC;QACrC,IAAI,CAAC,SAAS,IAAI,KAAK,CAAC,MAAM,EAAE,CAAC;YAC/B,MAAM,UAAU,GAAG,MAAM,IAAI,CAAC,cAAc,CAAC,KAAK,CAAC,MAAM,EAAE,GAAG,CAAC,CAAC;YAChE,SAAS,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC;YAC1B,YAAY,GAAG,KAAK,CAAC,MAAM,CAAC,WAAW,EAAE,CAAC;QAC5C,CAAC;QACD,IAAI,CAAC,SAAS,EAAE,CAAC;YACf,MAAM,GAAG,CAAC,IAAI,CACZ,oBAAoB,EACpB,wEAAwE,
|
|
1
|
+
{"version":3,"file":"get-annotations.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-annotations.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE,OAAO,EAAE,cAAc,EAAE,MAAM,iCAAiC,CAAC;AACjE,OAAO,EAAE,kBAAkB,EAAE,MAAM,kCAAkC,CAAC;AAMtE,OAAO,EAAE,iBAAiB,EAAE,MAAM,uCAAuC,CAAC;AAE1E,MAAM,aAAa,GAAG,CAAC;KACpB,MAAM,CAAC;IACN,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6DAA6D,CAAC;IACxF,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;IACnE,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,0BAA0B,CAAC;IACjE,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,wBAAwB,CAAC;CAC9D,CAAC;KACD,QAAQ,CAAC,6DAA6D,CAAC,CAAC;AAE3E,MAAM,YAAY,GAAG,CAAC;KACnB,MAAM,CAAC;IACN,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sCAAsC,CAAC;IACtE,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,qBAAqB,CAAC;IAChD,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,2DAA2D,CAAC;IACtF,eAAe,EAAE,CAAC;SACf,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC;SACjB,QAAQ,CAAC,qDAAqD,CAAC;IAClE,OAAO,EAAE,CAAC;SACP,KAAK,CACJ,CAAC;SACE,MAAM,CAAC;QACN,EAAE,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,+BAA+B,CAAC;QACxD,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,eAAe,CAAC;QAC1C,QAAQ,EAAE,CAAC;aACR,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,wDAAwD,CAAC;KACtE,CAAC;SACD,QAAQ,CAAC,mCAAmC,CAAC,CACjD;SACA,QAAQ,CAAC,sBAAsB,CAAC;CACpC,CAAC;KACD,QAAQ,CAAC,qDAAqD,CAAC,CAAC;AAEnE,MAAM,CAAC,MAAM,cAAc,GAAG,IAAI,CAAC,yBAAyB,EAAE;IAC5D,KAAK,EAAE,qCAAqC;IAC5C,WAAW,EACT,qGAAqG;QACrG,uGAAuG;QACvG,wGAAwG;QACxG,sGAAsG;IACxG,WAAW,EAAE,EAAE,YAAY,EAAE,IAAI,EAAE,aAAa,EAAE,IAAI,EAAE;IAExD,MAAM,EAAE;QACN;YACE,MAAM,EAAE,oBAAoB;YAC5B,IAAI,EAAE,gBAAgB,CAAC,QAAQ;YAC/B,IAAI,EAAE,qHAAqH;YAC3H,QAAQ,EACN,uHAAuH;SAC1H;KACF;IAED,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,OAAO,EAAE,CAAC;aACP,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,gEAAgE,CAAC;QAC7E,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,oEAAoE,CAAC;QACjF,OAAO,EAAE,CAAC;aACP,IAAI,CAAC,CAAC,UAAU,EAAE,SAAS,EAAE,UAAU,EAAE,KAAK,CAAC,CAAC;aAChD,OAAO,CAAC,KAAK,CAAC;aACd,QAAQ,CACP,oFAAoF,CACrF;KACJ,CAAC;IAEF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6CAA6C,CAAC;QAC7E,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,2BAA2B,CAAC;QACxE,SAAS,EAAE,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,CAAC,QAAQ,CAAC,aAAa,CAAC;QACtD,QAAQ,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,kCAAkC,CAAC;QAC5E,QAAQ,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,2BAA2B,CAAC;QACrE,cAAc,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,8BAA8B,CAAC;QAC9E,QAAQ,EAAE,CAAC,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,iCAAiC,CAAC;QACvF,QAAQ,EAAE,CAAC,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,4BAA4B,CAAC;QAClF,OAAO,EAAE,CAAC,CAAC,KAAK,CAAC,YAAY,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,qCAAqC,CAAC;KAC1F,CAAC;IAEF,UAAU,EAAE;QACV,YAAY,EAAE,CAAC;aACZ,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,0DAA0D,CAAC;QACvE,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,2CAA2C,CAAC;KACpF;IAED,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,OAAO,GAAG,iBAAiB,EAAE,CAAC;QACpC,MAAM,IAAI,GAAG,cAAc,EAAE,CAAC;QAE9B,IAAI,SAAS,GAAG,KAAK,CAAC,OAAO,EAAE,WAAW,EAAE,CAAC;QAC7C,IAAI,YAAgC,CAAC;QACrC,IAAI,CAAC,SAAS,IAAI,KAAK,CAAC,MAAM,EAAE,CAAC;YAC/B,MAAM,UAAU,GAAG,MAAM,IAAI,CAAC,cAAc,CAAC,KAAK,CAAC,MAAM,EAAE,GAAG,CAAC,CAAC;YAChE,SAAS,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC;YAC1B,YAAY,GAAG,KAAK,CAAC,MAAM,CAAC,WAAW,EAAE,CAAC;QAC5C,CAAC;QACD,IAAI,CAAC,SAAS,EAAE,CAAC;YACf,MAAM,GAAG,CAAC,IAAI,CACZ,oBAAoB,EACpB,wEAAwE,EACxE,EAAE,GAAG,GAAG,CAAC,WAAW,CAAC,oBAAoB,CAAC,EAAE,CAC7C,CAAC;QACJ,CAAC;QACD,IAAI,CAAC,kBAAkB,CAAC,SAAS,CAAC,EAAE,CAAC;YACnC,MAAM,GAAG,CAAC,IAAI,CAAC,oBAAoB,EAAE,IAAI,SAAS,qCAAqC,EAAE;gBACvF,GAAG,GAAG,CAAC,WAAW,CAAC,oBAAoB,CAAC;aACzC,CAAC,CAAC;QACL,CAAC;QAED,MAAM,OAAO,GAAG,KAAK,CAAC,OAA4B,CAAC;QACnD,MAAM,YAAY,GAAG,OAAO,KAAK,SAAS,IAAI,OAAO,KAAK,KAAK,CAAC;QAChE,MAAM,CAAC,KAAK,EAAE,QAAQ,CAAC,GAAG,MAAM,OAAO,CAAC,GAAG,CAAC;YAC1C,OAAO,CAAC,QAAQ,CAAC,SAAS,EAAE,OAAO,EAAE,GAAG,CAAC;YACzC,YAAY,CAAC,CAAC,CAAC,OAAO,CAAC,WAAW,CAAC,SAAS,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,OAAO,CAAkB,EAAE,CAAC;SAC1F,CAAC,CAAC;QAEH,MAAM,QAAQ,GAAG,KAAK,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,QAAQ,KAAK,SAAS,CAAC,CAAC;QACxE,MAAM,QAAQ,GAAG,KAAK,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,QAAQ,KAAK,SAAS,CAAC,CAAC;QACxE,MAAM,YAAY,GAAG,OAAO,KAAK,UAAU,IAAI,OAAO,KAAK,KAAK,CAAC;QACjE,MAAM,YAAY,GAAG,OAAO,KAAK,UAAU,IAAI,OAAO,KAAK,KAAK,CAAC;QAEjE,IAAI,YAAY;YAAE,GAAG,CAAC,MAAM,CAAC,EAAE,YAAY,EAAE,CAAC,CAAC;QAE/C,OAAO;YACL,SAAS,EAAE,KAAK,CAAC,SAAS;YAC1B,GAAG,CAAC,KAAK,CAAC,WAAW,CAAC,CAAC,CAAC,EAAE,WAAW,EAAE,KAAK,CAAC,WAAW,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;YAChE,SAAS,EAAE,KAAK,CAAC,SAAS;YAC1B,GAAG,CAAC,KAAK,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,QAAQ,EAAE,KAAK,CAAC,QAAQ,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;YACvD,GAAG,CAAC,KAAK,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,QAAQ,EAAE,KAAK,CAAC,QAAQ,EAAE,CAAC,CAAC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@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"get-structure.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-structure.tool.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAsB,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAC/D,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AA8DjE,eAAO,MAAM,YAAY;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
|
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1
|
+
{"version":3,"file":"get-structure.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-structure.tool.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAsB,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAC/D,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AA8DjE,eAAO,MAAM,YAAY;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EAmOvB,CAAC"}
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@@ -145,17 +145,17 @@ export const getStructure = tool('protein_get_structure', {
|
|
|
145
145
|
}
|
|
146
146
|
if (input.source === 'experimental') {
|
|
147
147
|
if (ids.some((id) => isUniProtAccession(id) && !isPdbId(id))) {
|
|
148
|
-
throw ctx.fail('mixed_id_types', 'source experimental expects PDB entry IDs, but UniProt accessions were present.');
|
|
148
|
+
throw ctx.fail('mixed_id_types', 'source experimental expects PDB entry IDs, but UniProt accessions were present.', { ...ctx.recoveryFor('mixed_id_types') });
|
|
149
149
|
}
|
|
150
150
|
}
|
|
151
151
|
else if (ids.some((id) => isPdbId(id) && !isUniProtAccession(id))) {
|
|
152
|
-
throw ctx.fail('mixed_id_types', `source ${input.source} expects UniProt accessions, but PDB IDs were present
|
|
152
|
+
throw ctx.fail('mixed_id_types', `source ${input.source} expects UniProt accessions, but PDB IDs were present.`, { ...ctx.recoveryFor('mixed_id_types') });
|
|
153
153
|
}
|
|
154
154
|
const { structures, failed } = input.source === 'experimental'
|
|
155
155
|
? await fetchExperimental(ids, ctx)
|
|
156
156
|
: await fetchPredictedOrBest(ids, input.source, cfg.fanoutConcurrency, ctx);
|
|
157
157
|
if (structures.length === 0) {
|
|
158
|
-
throw ctx.fail('all_failed', `None of the ${ids.length} requested IDs resolved to a structure
|
|
158
|
+
throw ctx.fail('all_failed', `None of the ${ids.length} requested IDs resolved to a structure.`, { ...ctx.recoveryFor('all_failed') });
|
|
159
159
|
}
|
|
160
160
|
// Inline coordinates when requested (all, or only the re-called sections).
|
|
161
161
|
const inlineSet = input.sections?.length
|
|
@@ -1 +1 @@
|
|
|
1
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-
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1
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+
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@@ -54,6 +54,7 @@ export declare const searchStructures: import("@cyanheads/mcp-ts-core").ToolDefi
|
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54
54
|
label: z.ZodString;
|
|
55
55
|
count: z.ZodNumber;
|
|
56
56
|
}, z.core.$strip>>;
|
|
57
|
+
truncated: z.ZodOptional<z.ZodBoolean>;
|
|
57
58
|
}, z.core.$strip>>>;
|
|
58
59
|
}, z.core.$strip>>;
|
|
59
60
|
truncated: z.ZodOptional<z.ZodBoolean>;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"search-structures.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-structures.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAwBjE,eAAO,MAAM,gBAAgB
|
|
1
|
+
{"version":3,"file":"search-structures.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-structures.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAwBjE,eAAO,MAAM,gBAAgB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EA4L3B,CAAC"}
|
|
@@ -128,7 +128,9 @@ export const searchStructures = tool('protein_search_structures', {
|
|
|
128
128
|
},
|
|
129
129
|
async handler(input, ctx) {
|
|
130
130
|
if (!input.query && !input.sequence && !input.organism) {
|
|
131
|
-
throw ctx.fail('no_criteria', 'Provide a query, sequence, or organism to search on.'
|
|
131
|
+
throw ctx.fail('no_criteria', 'Provide a query, sequence, or organism to search on.', {
|
|
132
|
+
...ctx.recoveryFor('no_criteria'),
|
|
133
|
+
});
|
|
132
134
|
}
|
|
133
135
|
const cfg = getServerConfig();
|
|
134
136
|
const rcsb = getRcsbService();
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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@@ -1 +1 @@
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1
|
-
{"version":3,"file":"track-ligands.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/track-ligands.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAqCjE,eAAO,MAAM,YAAY;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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1
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+
{"version":3,"file":"track-ligands.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/track-ligands.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAqCjE,eAAO,MAAM,YAAY;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EAiMvB,CAAC"}
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@@ -116,7 +116,9 @@ export const trackLigands = tool('protein_track_ligands', {
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116
116
|
const cfg = getServerConfig();
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117
117
|
if (input.mode === 'find_ligand') {
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118
118
|
if (!input.query)
|
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119
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-
throw ctx.fail('missing_param', 'mode find_ligand requires a name or formula in "query".'
|
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119
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+
throw ctx.fail('missing_param', 'mode find_ligand requires a name or formula in "query".', {
|
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120
|
+
...ctx.recoveryFor('missing_param'),
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+
});
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120
122
|
const ids = await rcsb.findChemComps(input.query, input.limit, ctx);
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121
123
|
const ligands = (await mapWithConcurrency(ids, cfg.fanoutConcurrency, (id) => rcsb.getChemComp(id, ctx))).filter((c) => c != null);
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122
124
|
if (ligands.length === 0) {
|
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@@ -131,7 +133,9 @@ export const trackLigands = tool('protein_track_ligands', {
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|
131
133
|
if (input.mode === 'structures_with_ligand') {
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132
134
|
const compId = input.comp_id?.toUpperCase();
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133
135
|
if (!compId)
|
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134
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-
throw ctx.fail('missing_param', 'mode structures_with_ligand requires a "comp_id".'
|
|
136
|
+
throw ctx.fail('missing_param', 'mode structures_with_ligand requires a "comp_id".', {
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137
|
+
...ctx.recoveryFor('missing_param'),
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138
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+
});
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135
139
|
const result = await rcsb.searchByLigand(compId, { limit: input.limit }, ctx);
|
|
136
140
|
ctx.enrich.total(result.total);
|
|
137
141
|
ctx.enrich({ resolvedCompId: compId });
|
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@@ -148,7 +152,9 @@ export const trackLigands = tool('protein_track_ligands', {
|
|
|
148
152
|
// binding_site
|
|
149
153
|
const compId = input.comp_id?.toUpperCase();
|
|
150
154
|
if (!input.pdb_id)
|
|
151
|
-
throw ctx.fail('missing_param', 'mode binding_site requires a "pdb_id".'
|
|
155
|
+
throw ctx.fail('missing_param', 'mode binding_site requires a "pdb_id".', {
|
|
156
|
+
...ctx.recoveryFor('missing_param'),
|
|
157
|
+
});
|
|
152
158
|
const sites = await rcsb.getBindingSites(input.pdb_id, compId, ctx);
|
|
153
159
|
if (sites.length === 0) {
|
|
154
160
|
throw ctx.fail('not_found', `No binding-site contacts found in ${input.pdb_id.toUpperCase()}${compId ? ` for ligand ${compId}` : ''}.`, {
|
|
@@ -157,9 +163,15 @@ export const trackLigands = tool('protein_track_ligands', {
|
|
|
157
163
|
},
|
|
158
164
|
});
|
|
159
165
|
}
|
|
166
|
+
// Cap binding-site INSTANCES to the shared limit (mode-consistent top-N; the
|
|
167
|
+
// other two modes already bound their results). Disclose the drop via notice.
|
|
168
|
+
const bindingSites = sites.slice(0, input.limit);
|
|
169
|
+
if (sites.length > input.limit) {
|
|
170
|
+
ctx.enrich.notice(`Showing ${input.limit} of ${sites.length} binding-site instances in ${input.pdb_id.toUpperCase()}${compId ? ` for ${compId}` : ''}; raise limit to see more.`);
|
|
171
|
+
}
|
|
160
172
|
if (compId)
|
|
161
173
|
ctx.enrich({ resolvedCompId: compId });
|
|
162
|
-
return { mode: input.mode, bindingSites
|
|
174
|
+
return { mode: input.mode, bindingSites };
|
|
163
175
|
},
|
|
164
176
|
format: (result) => {
|
|
165
177
|
const lines = [`## protein_track_ligands — ${result.mode}`];
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
package/package.json
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "@cyanheads/protein-mcp-server",
|
|
3
|
-
"version": "0.2.
|
|
3
|
+
"version": "0.2.1",
|
|
4
4
|
"mcpName": "io.github.cyanheads/protein-mcp-server",
|
|
5
5
|
"description": "Federated protein structure & annotation across experimental (PDB) and predicted (AlphaFold) models via MCP. STDIO or Streamable HTTP.",
|
|
6
6
|
"type": "module",
|
package/server.json
CHANGED
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
"url": "https://github.com/cyanheads/protein-mcp-server",
|
|
7
7
|
"source": "github"
|
|
8
8
|
},
|
|
9
|
-
"version": "0.2.
|
|
9
|
+
"version": "0.2.1",
|
|
10
10
|
"remotes": [
|
|
11
11
|
{
|
|
12
12
|
"type": "streamable-http",
|
|
@@ -19,7 +19,7 @@
|
|
|
19
19
|
"registryBaseUrl": "https://registry.npmjs.org",
|
|
20
20
|
"identifier": "@cyanheads/protein-mcp-server",
|
|
21
21
|
"runtimeHint": "node",
|
|
22
|
-
"version": "0.2.
|
|
22
|
+
"version": "0.2.1",
|
|
23
23
|
"packageArguments": [
|
|
24
24
|
{
|
|
25
25
|
"type": "positional",
|
|
@@ -48,7 +48,7 @@
|
|
|
48
48
|
"registryBaseUrl": "https://registry.npmjs.org",
|
|
49
49
|
"identifier": "@cyanheads/protein-mcp-server",
|
|
50
50
|
"runtimeHint": "node",
|
|
51
|
-
"version": "0.2.
|
|
51
|
+
"version": "0.2.1",
|
|
52
52
|
"packageArguments": [
|
|
53
53
|
{
|
|
54
54
|
"type": "positional",
|