@cyanheads/protein-mcp-server 0.1.4 → 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 +2 -2
- package/CLAUDE.md +2 -2
- package/README.md +7 -6
- package/changelog/0.2.x/0.2.0.md +25 -0
- 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/compare-structures.tool.d.ts +12 -1
- package/dist/mcp-server/tools/definitions/compare-structures.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/compare-structures.tool.js +70 -11
- package/dist/mcp-server/tools/definitions/compare-structures.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/find-similar.tool.d.ts +6 -0
- package/dist/mcp-server/tools/definitions/find-similar.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/find-similar.tool.js +42 -19
- 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/dist/services/alignment/alignment-service.d.ts +8 -0
- package/dist/services/alignment/alignment-service.d.ts.map +1 -1
- package/dist/services/alignment/alignment-service.js +24 -0
- package/dist/services/alignment/alignment-service.js.map +1 -1
- package/dist/services/foldseek/foldseek-service.d.ts +15 -1
- package/dist/services/foldseek/foldseek-service.d.ts.map +1 -1
- package/dist/services/foldseek/foldseek-service.js +30 -0
- package/dist/services/foldseek/foldseek-service.js.map +1 -1
- package/package.json +4 -4
- package/server.json +3 -3
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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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@@ -48,6 +48,14 @@ export declare class AlignmentService {
|
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|
48
48
|
* one bad pair doesn't sink the whole comparison.
|
|
49
49
|
*/
|
|
50
50
|
comparePair(a: CompareStructure, b: CompareStructure, method: AlignmentMethod, timeoutMs: number, ctx: Context): Promise<PairOutcome>;
|
|
51
|
+
/**
|
|
52
|
+
* Resume an existing job: bounded-poll a UUID returned by a prior `comparePair`
|
|
53
|
+
* without resubmitting. Reuses the same `pollResult` step, so a `404` — which the
|
|
54
|
+
* RCSB API returns identically for an expired UUID and a job still computing —
|
|
55
|
+
* degrades to `{ status: 'computing' }` on timeout rather than a false `failed`.
|
|
56
|
+
* A legitimately in-flight job is never mistaken for a dead one. Never throws.
|
|
57
|
+
*/
|
|
58
|
+
resumePair(uuid: string, timeoutMs: number, ctx: Context): Promise<PairOutcome>;
|
|
51
59
|
/** Single poll of a job's results. 404 = still computing; a result body = ready. */
|
|
52
60
|
private pollResult;
|
|
53
61
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"alignment-service.d.ts","sourceRoot":"","sources":["../../../src/services/alignment/alignment-service.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,KAAK,EAAE,OAAO,EAAE,MAAM,wBAAwB,CAAC;AACtD,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,+BAA+B,CAAC;AAC/D,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,gCAAgC,CAAC;AACrE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,2BAA2B,CAAC;AAI9D,4EAA4E;AAC5E,MAAM,MAAM,eAAe,GAAG,UAAU,GAAG,cAAc,GAAG,iBAAiB,CAAC;AAE9E,wDAAwD;AACxD,MAAM,WAAW,gBAAgB;IAC/B,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,OAAO,EAAE,MAAM,CAAC;CACjB;AAED,mCAAmC;AACnC,MAAM,WAAW,UAAU;IACzB,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB,IAAI,CAAC,EAAE,MAAM,CAAC;IACd,gBAAgB,CAAC,EAAE,MAAM,CAAC;IAC1B,OAAO,CAAC,EAAE,MAAM,CAAC;CAClB;AAED,yCAAyC;AACzC,MAAM,MAAM,WAAW,GACnB;IAAE,MAAM,EAAE,UAAU,CAAC;IAAC,IAAI,EAAE,MAAM,CAAC;IAAC,MAAM,EAAE,UAAU,CAAA;CAAE,GACxD;IAAE,MAAM,EAAE,WAAW,CAAC;IAAC,IAAI,EAAE,MAAM,CAAA;CAAE,GACrC;IAAE,MAAM,EAAE,QAAQ,CAAC;IAAC,KAAK,EAAE,MAAM,CAAA;CAAE,CAAC;AAExC,qBAAa,gBAAgB;IAC3B,OAAO,CAAC,QAAQ,CAAC,SAAS,CAAS;IACnC,OAAO,CAAC,QAAQ,CAAC,UAAU,CAAS;gBAExB,OAAO,EAAE,SAAS,EAAE,QAAQ,EAAE,cAAc,EAAE,YAAY,EAAE,YAAY;IAKpF,6DAA6D;IACvD,MAAM,CACV,CAAC,EAAE,gBAAgB,EACnB,CAAC,EAAE,gBAAgB,EACnB,MAAM,EAAE,eAAe,EACvB,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,MAAM,CAAC;IAsBlB;;;;OAIG;IACG,WAAW,CACf,CAAC,EAAE,gBAAgB,EACnB,CAAC,EAAE,gBAAgB,EACnB,MAAM,EAAE,eAAe,EACvB,SAAS,EAAE,MAAM,EACjB,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,WAAW,CAAC;IAuBvB,oFAAoF;YACtE,UAAU;CAazB;AAmDD,wBAAgB,oBAAoB,CAClC,MAAM,EAAE,SAAS,EACjB,OAAO,EAAE,cAAc,EACvB,YAAY,EAAE,YAAY,GACzB,IAAI,CAEN;AAED,wBAAgB,mBAAmB,IAAI,gBAAgB,CAItD"}
|
|
1
|
+
{"version":3,"file":"alignment-service.d.ts","sourceRoot":"","sources":["../../../src/services/alignment/alignment-service.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,KAAK,EAAE,OAAO,EAAE,MAAM,wBAAwB,CAAC;AACtD,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,+BAA+B,CAAC;AAC/D,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,gCAAgC,CAAC;AACrE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,2BAA2B,CAAC;AAI9D,4EAA4E;AAC5E,MAAM,MAAM,eAAe,GAAG,UAAU,GAAG,cAAc,GAAG,iBAAiB,CAAC;AAE9E,wDAAwD;AACxD,MAAM,WAAW,gBAAgB;IAC/B,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,OAAO,EAAE,MAAM,CAAC;CACjB;AAED,mCAAmC;AACnC,MAAM,WAAW,UAAU;IACzB,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB,IAAI,CAAC,EAAE,MAAM,CAAC;IACd,gBAAgB,CAAC,EAAE,MAAM,CAAC;IAC1B,OAAO,CAAC,EAAE,MAAM,CAAC;CAClB;AAED,yCAAyC;AACzC,MAAM,MAAM,WAAW,GACnB;IAAE,MAAM,EAAE,UAAU,CAAC;IAAC,IAAI,EAAE,MAAM,CAAC;IAAC,MAAM,EAAE,UAAU,CAAA;CAAE,GACxD;IAAE,MAAM,EAAE,WAAW,CAAC;IAAC,IAAI,EAAE,MAAM,CAAA;CAAE,GACrC;IAAE,MAAM,EAAE,QAAQ,CAAC;IAAC,KAAK,EAAE,MAAM,CAAA;CAAE,CAAC;AAExC,qBAAa,gBAAgB;IAC3B,OAAO,CAAC,QAAQ,CAAC,SAAS,CAAS;IACnC,OAAO,CAAC,QAAQ,CAAC,UAAU,CAAS;gBAExB,OAAO,EAAE,SAAS,EAAE,QAAQ,EAAE,cAAc,EAAE,YAAY,EAAE,YAAY;IAKpF,6DAA6D;IACvD,MAAM,CACV,CAAC,EAAE,gBAAgB,EACnB,CAAC,EAAE,gBAAgB,EACnB,MAAM,EAAE,eAAe,EACvB,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,MAAM,CAAC;IAsBlB;;;;OAIG;IACG,WAAW,CACf,CAAC,EAAE,gBAAgB,EACnB,CAAC,EAAE,gBAAgB,EACnB,MAAM,EAAE,eAAe,EACvB,SAAS,EAAE,MAAM,EACjB,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,WAAW,CAAC;IAuBvB;;;;;;OAMG;IACG,UAAU,CAAC,IAAI,EAAE,MAAM,EAAE,SAAS,EAAE,MAAM,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,WAAW,CAAC;IAiBrF,oFAAoF;YACtE,UAAU;CAazB;AAmDD,wBAAgB,oBAAoB,CAClC,MAAM,EAAE,SAAS,EACjB,OAAO,EAAE,cAAc,EACvB,YAAY,EAAE,YAAY,GACzB,IAAI,CAEN;AAED,wBAAgB,mBAAmB,IAAI,gBAAgB,CAItD"}
|
|
@@ -66,6 +66,30 @@ export class AlignmentService {
|
|
|
66
66
|
return { status: 'failed', error: err instanceof Error ? err.message : String(err) };
|
|
67
67
|
}
|
|
68
68
|
}
|
|
69
|
+
/**
|
|
70
|
+
* Resume an existing job: bounded-poll a UUID returned by a prior `comparePair`
|
|
71
|
+
* without resubmitting. Reuses the same `pollResult` step, so a `404` — which the
|
|
72
|
+
* RCSB API returns identically for an expired UUID and a job still computing —
|
|
73
|
+
* degrades to `{ status: 'computing' }` on timeout rather than a false `failed`.
|
|
74
|
+
* A legitimately in-flight job is never mistaken for a dead one. Never throws.
|
|
75
|
+
*/
|
|
76
|
+
async resumePair(uuid, timeoutMs, ctx) {
|
|
77
|
+
try {
|
|
78
|
+
const outcome = await withAsyncPoll({
|
|
79
|
+
step: () => this.pollResult(uuid, ctx),
|
|
80
|
+
timeoutMs,
|
|
81
|
+
ctx,
|
|
82
|
+
intervalMs: 1500,
|
|
83
|
+
maxIntervalMs: 2500,
|
|
84
|
+
});
|
|
85
|
+
return outcome.status === 'complete'
|
|
86
|
+
? { status: 'complete', uuid, scores: outcome.value }
|
|
87
|
+
: { status: 'computing', uuid };
|
|
88
|
+
}
|
|
89
|
+
catch (err) {
|
|
90
|
+
return { status: 'failed', error: err instanceof Error ? err.message : String(err) };
|
|
91
|
+
}
|
|
92
|
+
}
|
|
69
93
|
/** Single poll of a job's results. 404 = still computing; a result body = ready. */
|
|
70
94
|
async pollResult(uuid, ctx) {
|
|
71
95
|
const res = await fetchResponse(`${this.resultsUrl}?uuid=${encodeURIComponent(uuid)}`, ctx, {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
{"version":3,"file":"alignment-service.js","sourceRoot":"","sources":["../../../src/services/alignment/alignment-service.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAMH,OAAO,EAAiB,aAAa,EAAE,MAAM,oBAAoB,CAAC;AAClE,OAAO,EAAE,aAAa,EAAE,SAAS,EAAE,SAAS,EAAE,MAAM,mBAAmB,CAAC;AAyBxE,MAAM,OAAO,gBAAgB;IACV,SAAS,CAAS;IAClB,UAAU,CAAS;IAEpC,YAAY,OAAkB,EAAE,QAAwB,EAAE,YAA0B;QAClF,IAAI,CAAC,SAAS,GAAG,GAAG,YAAY,CAAC,oBAAoB,2BAA2B,CAAC;QACjF,IAAI,CAAC,UAAU,GAAG,GAAG,YAAY,CAAC,oBAAoB,4BAA4B,CAAC;IACrF,CAAC;IAED,6DAA6D;IAC7D,KAAK,CAAC,MAAM,CACV,CAAmB,EACnB,CAAmB,EACnB,MAAuB,EACvB,GAAY;QAEZ,MAAM,KAAK,GAAG;YACZ,OAAO,EAAE;gBACP,IAAI,EAAE,UAAU;gBAChB,yEAAyE;gBACzE,mEAAmE;gBACnE,mEAAmE;gBACnE,MAAM,EAAE,EAAE,IAAI,EAAE,MAAM,EAAE;gBACxB,UAAU,EAAE,CAAC,gBAAgB,CAAC,CAAC,CAAC,EAAE,gBAAgB,CAAC,CAAC,CAAC,CAAC;aACvD;SACF,CAAC;QACF,MAAM,GAAG,GAAG,GAAG,IAAI,CAAC,SAAS,UAAU,kBAAkB,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,EAAE,CAAC;QACnF,MAAM,IAAI,GAAG,MAAM,SAAS,CAAC,GAAG,EAAE,GAAG,EAAE;YACrC,MAAM,EAAE,MAAM;YACd,OAAO,EAAE,EAAE,cAAc,EAAE,kBAAkB,EAAE;YAC/C,SAAS,EAAE,yBAAyB;YACpC,KAAK,EAAE,oBAAoB;YAC3B,WAAW,EAAE,GAAG;SACjB,CAAC,CAAC;QACH,OAAO,IAAI,CAAC,IAAI,EAAE,CAAC,OAAO,CAAC,QAAQ,EAAE,EAAE,CAAC,CAAC;IAC3C,CAAC;IAED;;;;OAIG;IACH,KAAK,CAAC,WAAW,CACf,CAAmB,EACnB,CAAmB,EACnB,MAAuB,EACvB,SAAiB,EACjB,GAAY;QAEZ,IAAI,IAAY,CAAC;QACjB,IAAI,CAAC;YACH,IAAI,GAAG,MAAM,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,MAAM,EAAE,GAAG,CAAC,CAAC;QAC9C,CAAC;QAAC,OAAO,GAAG,EAAE,CAAC;YACb,OAAO,EAAE,MAAM,EAAE,QAAQ,EAAE,KAAK,EAAE,GAAG,YAAY,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,MAAM,CAAC,GAAG,CAAC,EAAE,CAAC;QACvF,CAAC;QACD,IAAI,CAAC;YACH,MAAM,OAAO,GAAG,MAAM,aAAa,CAAa;gBAC9C,IAAI,EAAE,GAAG,EAAE,CAAC,IAAI,CAAC,UAAU,CAAC,IAAI,EAAE,GAAG,CAAC;gBACtC,SAAS;gBACT,GAAG;gBACH,UAAU,EAAE,IAAI;gBAChB,aAAa,EAAE,IAAI;aACpB,CAAC,CAAC;YACH,OAAO,OAAO,CAAC,MAAM,KAAK,UAAU;gBAClC,CAAC,CAAC,EAAE,MAAM,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM,EAAE,OAAO,CAAC,KAAK,EAAE;gBACrD,CAAC,CAAC,EAAE,MAAM,EAAE,WAAW,EAAE,IAAI,EAAE,CAAC;QACpC,CAAC;QAAC,OAAO,GAAG,EAAE,CAAC;YACb,OAAO,EAAE,MAAM,EAAE,QAAQ,EAAE,KAAK,EAAE,GAAG,YAAY,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,MAAM,CAAC,GAAG,CAAC,EAAE,CAAC;QACvF,CAAC;IACH,CAAC;IAED;;;;;;OAMG;IACH,KAAK,CAAC,UAAU,CAAC,IAAY,EAAE,SAAiB,EAAE,GAAY;QAC5D,IAAI,CAAC;YACH,MAAM,OAAO,GAAG,MAAM,aAAa,CAAa;gBAC9C,IAAI,EAAE,GAAG,EAAE,CAAC,IAAI,CAAC,UAAU,CAAC,IAAI,EAAE,GAAG,CAAC;gBACtC,SAAS;gBACT,GAAG;gBACH,UAAU,EAAE,IAAI;gBAChB,aAAa,EAAE,IAAI;aACpB,CAAC,CAAC;YACH,OAAO,OAAO,CAAC,MAAM,KAAK,UAAU;gBAClC,CAAC,CAAC,EAAE,MAAM,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM,EAAE,OAAO,CAAC,KAAK,EAAE;gBACrD,CAAC,CAAC,EAAE,MAAM,EAAE,WAAW,EAAE,IAAI,EAAE,CAAC;QACpC,CAAC;QAAC,OAAO,GAAG,EAAE,CAAC;YACb,OAAO,EAAE,MAAM,EAAE,QAAQ,EAAE,KAAK,EAAE,GAAG,YAAY,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,MAAM,CAAC,GAAG,CAAC,EAAE,CAAC;QACvF,CAAC;IACH,CAAC;IAED,oFAAoF;IAC5E,KAAK,CAAC,UAAU,CAAC,IAAY,EAAE,GAAY;QACjD,MAAM,GAAG,GAAG,MAAM,aAAa,CAAC,GAAG,IAAI,CAAC,UAAU,SAAS,kBAAkB,CAAC,IAAI,CAAC,EAAE,EAAE,GAAG,EAAE;YAC1F,SAAS,EAAE,6BAA6B;YACxC,SAAS,EAAE,MAAM;YACjB,WAAW,EAAE,GAAG;SACjB,CAAC,CAAC;QACH,IAAI,GAAG,CAAC,MAAM,KAAK,GAAG;YAAE,OAAO,EAAE,KAAK,EAAE,KAAK,EAAE,CAAC;QAChD,IAAI,CAAC,GAAG,CAAC,EAAE;YAAE,MAAM,IAAI,KAAK,CAAC,wCAAwC,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC;QACnF,MAAM,GAAG,GAAG,SAAS,CAAuB,MAAM,GAAG,CAAC,IAAI,EAAE,EAAE,oBAAoB,CAAC,CAAC;QACpF,MAAM,KAAK,GAAG,GAAG,CAAC,OAAO,EAAE,CAAC,CAAC,CAAC,CAAC;QAC/B,IAAI,CAAC,KAAK;YAAE,OAAO,EAAE,KAAK,EAAE,KAAK,EAAE,CAAC;QACpC,OAAO,EAAE,KAAK,EAAE,IAAI,EAAE,KAAK,EAAE,eAAe,CAAC,KAAK,CAAC,EAAE,CAAC;IACxD,CAAC;CACF;AAED,SAAS,gBAAgB,CAAC,CAAmB;IAC3C,OAAO;QACL,QAAQ,EAAE,CAAC,CAAC,OAAO,CAAC,WAAW,EAAE;QACjC,GAAG,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,SAAS,EAAE,EAAE,OAAO,EAAE,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;KAC1D,CAAC;AACJ,CAAC;AAED;;;;GAIG;AACH,SAAS,eAAe,CAAC,MAA0B;IACjD,MAAM,OAAO,GAAG,MAAM,CAAC,OAAO,IAAI,EAAE,CAAC;IACrC,MAAM,MAAM,GAAG,OAAO,CAAC,MAAM,IAAI,EAAE,CAAC;IACpC,MAAM,MAAM,GAAG,CAAC,EAAU,EAAsB,EAAE,CAChD,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,IAAI,EAAE,CAAC,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,EAAE,KAAK,CAAC;IACvD,MAAM,GAAG,GAAe,EAAE,CAAC;IAC3B,MAAM,EAAE,GAAG,MAAM,CAAC,iBAAiB,CAAC,CAAC;IACrC,MAAM,IAAI,GAAG,MAAM,CAAC,OAAO,CAAC,CAAC;IAC7B,MAAM,KAAK,GAAG,MAAM,CAAC,mBAAmB,CAAC,CAAC;IAC1C,MAAM,OAAO,GACX,OAAO,CAAC,mBAAmB;QAC3B,OAAO,CAAC,gBAAgB;QACxB,OAAO,CAAC,kBAAkB;QAC1B,MAAM,CAAC,UAAU,CAAC,CAAC;IACrB,IAAI,OAAO,EAAE,KAAK,QAAQ;QAAE,GAAG,CAAC,OAAO,GAAG,EAAE,CAAC;IAC7C,IAAI,OAAO,IAAI,KAAK,QAAQ;QAAE,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC;IAC9C,IAAI,OAAO,KAAK,KAAK,QAAQ;QAAE,GAAG,CAAC,gBAAgB,GAAG,KAAK,CAAC;IAC5D,IAAI,OAAO,OAAO,KAAK,QAAQ;QAAE,GAAG,CAAC,eAAe,GAAG,OAAO,CAAC;IAC/D,OAAO,GAAG,CAAC;AACb,CAAC;AAgBD,IAAI,QAAsC,CAAC;AAE3C,MAAM,UAAU,oBAAoB,CAClC,MAAiB,EACjB,OAAuB,EACvB,YAA0B;IAE1B,QAAQ,GAAG,IAAI,gBAAgB,CAAC,MAAM,EAAE,OAAO,EAAE,YAAY,CAAC,CAAC;AACjE,CAAC;AAED,MAAM,UAAU,mBAAmB;IACjC,IAAI,CAAC,QAAQ;QACX,MAAM,IAAI,KAAK,CAAC,2EAA2E,CAAC,CAAC;IAC/F,OAAO,QAAQ,CAAC;AAClB,CAAC"}
|
|
@@ -35,7 +35,7 @@ export interface FoldseekHit {
|
|
|
35
35
|
/** UniProt accession (AlphaFold targets). */
|
|
36
36
|
uniprotAccession?: string;
|
|
37
37
|
}
|
|
38
|
-
/** Outcome of a structural search. */
|
|
38
|
+
/** Outcome of a structural search or ticket resume. */
|
|
39
39
|
export type FoldseekOutcome = {
|
|
40
40
|
status: 'complete';
|
|
41
41
|
ticketId: string;
|
|
@@ -43,6 +43,9 @@ export type FoldseekOutcome = {
|
|
|
43
43
|
} | {
|
|
44
44
|
status: 'computing';
|
|
45
45
|
ticketId: string;
|
|
46
|
+
} | {
|
|
47
|
+
status: 'not_found';
|
|
48
|
+
ticketId: string;
|
|
46
49
|
} | {
|
|
47
50
|
status: 'failed';
|
|
48
51
|
error: string;
|
|
@@ -62,6 +65,17 @@ export declare class FoldseekService {
|
|
|
62
65
|
limit: number;
|
|
63
66
|
timeoutMs: number;
|
|
64
67
|
}, ctx: Context): Promise<FoldseekOutcome>;
|
|
68
|
+
/**
|
|
69
|
+
* Resume an existing ticket: bounded-poll a ticket returned by a prior `search`
|
|
70
|
+
* without resubmitting. A bogus or expired ticket is a clean `400 "invalid ID"`
|
|
71
|
+
* from Foldseek — surfaced as `{ status: 'not_found' }`, distinct from an
|
|
72
|
+
* in-flight job (`computing`) or a processing error (`failed`). Never throws.
|
|
73
|
+
*/
|
|
74
|
+
resume(params: {
|
|
75
|
+
ticketId: string;
|
|
76
|
+
limit: number;
|
|
77
|
+
timeoutMs: number;
|
|
78
|
+
}, ctx: Context): Promise<FoldseekOutcome>;
|
|
65
79
|
private submit;
|
|
66
80
|
private pollTicket;
|
|
67
81
|
private fetchResults;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"foldseek-service.d.ts","sourceRoot":"","sources":["../../../src/services/foldseek/foldseek-service.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,KAAK,EAAE,OAAO,EAAE,MAAM,wBAAwB,CAAC;AACtD,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,+BAA+B,CAAC;
|
|
1
|
+
{"version":3,"file":"foldseek-service.d.ts","sourceRoot":"","sources":["../../../src/services/foldseek/foldseek-service.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;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;AAI9D,oCAAoC;AACpC,MAAM,WAAW,WAAW;IAC1B,sBAAsB;IACtB,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB,8BAA8B;IAC9B,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,yCAAyC;IACzC,QAAQ,EAAE,MAAM,CAAC;IACjB,yBAAyB;IACzB,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,kCAAkC;IAClC,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,+BAA+B;IAC/B,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,2BAA2B;IAC3B,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,kDAAkD;IAClD,gBAAgB,CAAC,EAAE,MAAM,CAAC;IAC1B,qDAAqD;IACrD,MAAM,EAAE,MAAM,CAAC;IACf,4BAA4B;IAC5B,UAAU,EAAE,KAAK,GAAG,WAAW,GAAG,OAAO,CAAC;IAC1C,6CAA6C;IAC7C,gBAAgB,CAAC,EAAE,MAAM,CAAC;CAC3B;AAED,uDAAuD;AACvD,MAAM,MAAM,eAAe,GACvB;IAAE,MAAM,EAAE,UAAU,CAAC;IAAC,QAAQ,EAAE,MAAM,CAAC;IAAC,IAAI,EAAE,WAAW,EAAE,CAAA;CAAE,GAC7D;IAAE,MAAM,EAAE,WAAW,CAAC;IAAC,QAAQ,EAAE,MAAM,CAAA;CAAE,GACzC;IAAE,MAAM,EAAE,WAAW,CAAC;IAAC,QAAQ,EAAE,MAAM,CAAA;CAAE,GACzC;IAAE,MAAM,EAAE,QAAQ,CAAC;IAAC,KAAK,EAAE,MAAM,CAAA;CAAE,CAAC;AAExC,qBAAa,eAAe;IAC1B,OAAO,CAAC,QAAQ,CAAC,OAAO,CAAS;gBAErB,OAAO,EAAE,SAAS,EAAE,QAAQ,EAAE,cAAc,EAAE,YAAY,EAAE,YAAY;IAIpF;;;OAGG;IACG,MAAM,CACV,MAAM,EAAE;QACN,WAAW,EAAE,MAAM,CAAC;QACpB,QAAQ,EAAE,MAAM,CAAC;QACjB,SAAS,EAAE,MAAM,EAAE,CAAC;QACpB,IAAI,EAAE,MAAM,CAAC;QACb,KAAK,EAAE,MAAM,CAAC;QACd,SAAS,EAAE,MAAM,CAAC;KACnB,EACD,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,eAAe,CAAC;IA8B3B;;;;;OAKG;IACG,MAAM,CACV,MAAM,EAAE;QAAE,QAAQ,EAAE,MAAM,CAAC;QAAC,KAAK,EAAE,MAAM,CAAC;QAAC,SAAS,EAAE,MAAM,CAAA;KAAE,EAC9D,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,eAAe,CAAC;YAuBb,MAAM;YA4BN,UAAU;YAsBV,YAAY;CAuB3B;AA0CD,wBAAgB,mBAAmB,CACjC,MAAM,EAAE,SAAS,EACjB,OAAO,EAAE,cAAc,EACvB,YAAY,EAAE,YAAY,GACzB,IAAI,CAEN;AAED,wBAAgB,kBAAkB,IAAI,eAAe,CAIpD"}
|
|
@@ -6,6 +6,7 @@
|
|
|
6
6
|
* Async: the ticket status field drives completion, not the HTTP code.
|
|
7
7
|
* @module services/foldseek/foldseek-service
|
|
8
8
|
*/
|
|
9
|
+
import { JsonRpcErrorCode, McpError } from '@cyanheads/mcp-ts-core/errors';
|
|
9
10
|
import { withAsyncPoll } from '../shared/async.js';
|
|
10
11
|
import { fetchJson } from '../shared/http.js';
|
|
11
12
|
export class FoldseekService {
|
|
@@ -41,6 +42,35 @@ export class FoldseekService {
|
|
|
41
42
|
return { status: 'failed', error: err instanceof Error ? err.message : String(err) };
|
|
42
43
|
}
|
|
43
44
|
}
|
|
45
|
+
/**
|
|
46
|
+
* Resume an existing ticket: bounded-poll a ticket returned by a prior `search`
|
|
47
|
+
* without resubmitting. A bogus or expired ticket is a clean `400 "invalid ID"`
|
|
48
|
+
* from Foldseek — surfaced as `{ status: 'not_found' }`, distinct from an
|
|
49
|
+
* in-flight job (`computing`) or a processing error (`failed`). Never throws.
|
|
50
|
+
*/
|
|
51
|
+
async resume(params, ctx) {
|
|
52
|
+
try {
|
|
53
|
+
const outcome = await withAsyncPoll({
|
|
54
|
+
step: () => this.pollTicket(params.ticketId, params.limit, ctx),
|
|
55
|
+
timeoutMs: params.timeoutMs,
|
|
56
|
+
ctx,
|
|
57
|
+
intervalMs: 1500,
|
|
58
|
+
maxIntervalMs: 2500,
|
|
59
|
+
});
|
|
60
|
+
return outcome.status === 'complete'
|
|
61
|
+
? { status: 'complete', ticketId: params.ticketId, hits: outcome.value }
|
|
62
|
+
: { status: 'computing', ticketId: params.ticketId };
|
|
63
|
+
}
|
|
64
|
+
catch (err) {
|
|
65
|
+
// A 400 from the ticket/result endpoint is Foldseek's "invalid ID" — the
|
|
66
|
+
// ticket never existed or has expired. `fetchWithTimeout` maps 400 →
|
|
67
|
+
// InvalidParams, so key the not-found branch off that code.
|
|
68
|
+
if (err instanceof McpError && err.code === JsonRpcErrorCode.InvalidParams) {
|
|
69
|
+
return { status: 'not_found', ticketId: params.ticketId };
|
|
70
|
+
}
|
|
71
|
+
return { status: 'failed', error: err instanceof Error ? err.message : String(err) };
|
|
72
|
+
}
|
|
73
|
+
}
|
|
44
74
|
async submit(fileContent, fileName, databases, mode, ctx) {
|
|
45
75
|
const form = new FormData();
|
|
46
76
|
form.append('q', new Blob([fileContent], { type: 'chemical/x-pdb' }), fileName);
|