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Uniprot&metanetx #63

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31 changes: 31 additions & 0 deletions metanetx_uniprot/README.md
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# MetaNetX and UniProt Content

Code is reused from Biochem4j: https://github.com/neilswainston/biochem4j/tree/master/sbcdb

Access chemical, reaction, enzyme, and organism information from the following sources:
- libchebipy (note, the _parsers.py file found in this repo must be updated for the libchebipy library at ~/libchebipy/_parsers.py)
- NCBITaxonomy
- MetaNetX
- Rhea
- UniProt

To run the full pipeline to get all relationships:

```
python build.py ~/biochem4j ',' 1
```

To run and only get reference proteome taxa that also exist in kg-microbe:
```
python build_taxa_ids.py ~/biochem4j 1
```
*Note, uses ncbitaxon.json (built from kg-microbe) which is expected to be in the Files directory.

To build the entire graph by combining all separate triples files, and creating a kgx format nodes file:
```
python combine_rels.py --directory ~/biochem4j/rels
python create_labels_file.py --directory ~/biochem4j/rels
```
This will output the following files:
- ~/biochem4j/rels/combined_kg.csv
- ~/biochem4j/combined_kgx_merged-kg_nodes.csv
358 changes: 358 additions & 0 deletions metanetx_uniprot/TestingFiles/chem_prop.tsv

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362 changes: 362 additions & 0 deletions metanetx_uniprot/TestingFiles/chem_xref.tsv

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188 changes: 188 additions & 0 deletions metanetx_uniprot/TestingFiles/ncbitaxon.json
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{
"graphs" : [ {
"nodes" : [ {
"id" : "http://purl.obolibrary.org/obo/NCBITaxon_817",
"meta" : {
"xrefs" : [ {
"val" : "PMID:16559622"
}, {
"val" : "GC_ID:11"
}, {
"val" : "PMID:28066339"
} ],
"synonyms" : [ {
"pred" : "hasRelatedSynonym",
"val" : "Bacteroides incommunis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Pseudobacterium fragilis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Ristella uncata",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Ristella incommunis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Bacteroides inaequalis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Pseudobacterium incommunis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Bacteroides uncatus",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Sphaerophorus inaequalis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Fusiformis fragilis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Sphaerophorus intermedius",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Pseudobacterium inaequalis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Bacillus fragilis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Ristella fragilis",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Pseudobacterium uncatum",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
} ],
"basicPropertyValues" : [ {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId",
"val" : "NCBITaxon:665938"
}, {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId",
"val" : "NCBITaxon:33929"
}, {
"pred" : "http://purl.obolibrary.org/obo/ncbitaxon#has_rank",
"val" : "http://purl.obolibrary.org/obo/NCBITaxon_species"
}, {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace",
"val" : "ncbi_taxonomy"
}, {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId",
"val" : "NCBITaxon:469587"
} ]
},
"type" : "CLASS",
"lbl" : "Bacteroides fragilis"
}, {
"id" : "http://purl.obolibrary.org/obo/NCBITaxon_562",
"meta" : {
"xrefs" : [ {
"val" : "GC_ID:11"
}, {
"val" : "PMID:10319482"
} ],
"synonyms" : [ {
"pred" : "hasRelatedSynonym",
"val" : "Enterococcus coli",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasExactSynonym",
"val" : "Escherichia/Shigella coli",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#equivalent_name"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Bacillus coli",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Bacterium coli",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasRelatedSynonym",
"val" : "Bacterium coli commune",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#synonym"
}, {
"pred" : "hasExactSynonym",
"val" : "E. coli",
"xrefs" : [ ],
"synonymType" : "http://purl.obolibrary.org/obo/ncbitaxon#common_name"
} ],
"basicPropertyValues" : [ {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId",
"val" : "NCBITaxon:1806490"
}, {
"pred" : "http://purl.obolibrary.org/obo/ncbitaxon#has_rank",
"val" : "http://purl.obolibrary.org/obo/NCBITaxon_species"
}, {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId",
"val" : "NCBITaxon:469598"
}, {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId",
"val" : "NCBITaxon:1637691"
}, {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace",
"val" : "ncbi_taxonomy"
}, {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId",
"val" : "NCBITaxon:662104"
}, {
"pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId",
"val" : "NCBITaxon:662101"
} ]
},
"type" : "CLASS",
"lbl" : "Escherichia coli"
} ],
"edges" : [ {
"sub" : "http://purl.obolibrary.org/obo/NCBITaxon_295405",
"pred" : "is_a",
"obj" : "http://purl.obolibrary.org/obo/NCBITaxon_817"
}, {
"sub" : "http://purl.obolibrary.org/obo/NCBITaxon_1389418",
"pred" : "is_a",
"obj" : "http://purl.obolibrary.org/obo/NCBITaxon_562"
} ],
"id" : "http://purl.obolibrary.org/obo/ncbitaxon.owl",
"meta" : {
"subsets" : [ ],
"xrefs" : [ ],
"basicPropertyValues" : [ ]
},
"equivalentNodesSets" : [ ],
"logicalDefinitionAxioms" : [ ],
"`domainRangeAxioms`" : [ ],
"propertyChainAxioms" : [ ]
} ]
}
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