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The RCSB PDB GraphQL service for amino/nucleic acid and identifier mapping

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rcsb-sequence-coordinates

The RCSB PDB GraphQL service for amino/nucleic acid and identifier mapping among multiple sequence resources. The service integrates pairwise sequence alignments including NCBI (genome and proteins), UniProt and PDB. In addition, sequence annotations can be mapped among the different sequence references. The service exposes blocking and reactive operations.

Project Architecture

The project is divided in 3 modules:

  • org.rcsb.graphqlschema: Contains the interface and type definitions for the service endpoints queries and responses. At project build time GrapQL schema is built from these definitions (org.rcsb.graphqlschema.schema.SchemaGenerator).
  • org.rcsb.rcsbsequencecoordinates: Defines the Spring Boot application based on GraphQL, reactive streams and RSocket.
    • configuration: The GraphQL service uses a custom wiring factor GraphqlWiringFactory. Data objects are defined as documents (org.bson.Document). The wiring factory defines the right way of accessing the GraphQL schema fields in data objects.
    • controller: Defines the different GraphQL entry points for alignments and annotations requests. Some of the GrapQL schema fields are mapped to specific entry points using the @SchemaMapping annotation.
  • org.rcsb.collector: Contains the methods to fetch alignments and annotations from a MongoDB. Data is always dispatched as streams.

Application Configuration

Configuration happens through the usual rcsb config method (from the rcsb-util package). Pass the configuration directory with -DrcsbConfigProfile=<URL>. The rcsb-sequence-coordinates config file must be called borrego.app.properties.

The properties are:

Property Action
aw.mongodb.db.name Set the DB name for the annotations warehouse DB.
aw.mongodb.uri Set the MongoDB connection URI (including host, username and password) for the AWH.

GraphQL schema generation

The GraphQL schema builder is based on the libray:

  • graphql-spqr: creation of GraphQL schema from POJOs without annotations. graphql-spqr also provides annotations to implement wiring for the data. See class GraphQLService. The POJOs used are those in org.rcsb.mojave.auto and org.rcsb.graphqlschema.response packages. The json annotations in those POJOs are ignored by graphql-spqr, for instance camel to snake case is done via a specific transformation implemented by us.

Contributing

All contributions are welcome. Please, make a pull request or open an issue.

License

The MIT License

Copyright (c) 2024 - now, RCSB PDB and contributors

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

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The RCSB PDB GraphQL service for amino/nucleic acid and identifier mapping

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