[[PageOutline]] = URL = * PDBj http://www.pdbj.org/PDBID (PDBID = 1gof, 1a00, ...) This is a fake URL. * KEGG http://togows.dbcls.jp/entry/kegg-DBNAME/ENTRYID * DDBJ http://togows.dbcls.jp/entry/ddbj/ENTRYID * !UniProt http://www.uniprot.org/uniprot/ENTRYID * !PubMed http://www.ncbi.nlm.nih.gov/pubmed/ENTRYID * Taxonomy http://www.ncbi.nlm.nih.gov/Taxonomy/TAXID (this is invalid URL) * !HapMap http://www.khapmap.org/ENTRYID (this is invalid URL) * gene_id http://www.ncbi.nlm.nih.gov/gene/ENTRYID (NCBI gene ID) = PDB things = * ftp://ftp.protein.osaka-u.ac.jp/pub/pdb/data/structures/all/XML-noatom/{PDBID}-noatom.xml.gz * /PDBx:datablock/PDBx:entity_src_genCategory/PDBx:entity_src_gen/PDBx:pdbx_gene_src_ncbi_taxonomy_id where {PDBID} should be something like "1a00" (in lowercase). == Converting PDBML to RDF == tore.eriksson has made a tentative XSL stylesheet to convert PDBMLplus (some selected elements) into RDF. (but when I checked the output RDF with raptor converter (rapper), it had some errors...) While I (akinjo) was in Shinkansen from Tokyo to Osaka, I wrote an XSL stylesheet that convert the whole PDBML file into RDF (files attached). I noticed one good thing about PDBML. * PDBML is based on mmCIF (PDB's original format) * mmCIF is actually defined as an ontology. * So, we can use mmCIF categories and items as predicates. * An xpath REST interface for PDBMLplus is available at pdbj: e.g., http://service.pdbj.org/mine/xpath/1a00/PDBx:datablock/PDBx:entityCategory * Thus, we can use xpaths as subjects and objects in RDF. Some examples of the triples are: {{{ "1A00" . "HEMOGLOBIN (ALPHA CHAIN)" . . }}} (Predicate URI's are not valid at present.) === To do === * Currently, PDBML files converted by using PDBMLplus2rdf.xsl and PDBML2rdf.xsl do not contain any links to other databases. For that we need to write other XSL stylesheets. * There are also cross references within PDB, but these are not handled yet. To do so requires some analysis of the PDBML schema. == 2010-02-15: PDBML schema to OWL == I succeeded converting PDBML schema into OWL/RDF using XSLT. The resulting OWL file was validated as OWL/Full-compatible by !WonderWeb OWL Ontology validator ( http://www.mygrid.org.uk/OWL/Validator )! === To do === * Writing a XSL stylesheet that write another XSL stylesheet for converting PDBML files into RDF. That is, {{{ PDBML Schema (pdbx-v32.xsd) --(pdbx2pdbml2rdf.xsl)--> XSL Stylesheet (pdbml2rdf.xsl) PDBML file --(pdbml2rdf.xsl)--> PDBML/RDF }}} One big advantage of translating PDBML schema is that it contains cross-references to many items within a PDBML file. = DDBJ things = * http://xml.nig.ac.jp/rest/Invoke?service=DDBJ&method=getXMLEntry&accession= e.g. http://xml.nig.ac.jp/rest/Invoke?service=DDBJ&method=getXMLEntry&accession=AL121903 * URL which returns prototype RDF * http://sabi.ddbj.nig.ac.jp/ddbj/data/ e.g. http://sabi.ddbj.nig.ac.jp/ddbj/data/Z48241 * URL which returns in flatfile format * http://sabi.ddbj.nig.ac.jp/ddbj/ e.g. http://sabi.ddbj.nig.ac.jp/ddbj/Z48241 * URL which redirects HTML page * http://sabi.ddbj.nig.ac.jp/ddbj/html/ e.g. http://sabi.ddbj.nig.ac.jp/ddbj/html/Z48241 = KEGG things = * Draft KEGG RDF download site (temporal) : http://www.hgc.jp/~shuichi/biohack2010/ * Note: I wouldn't recommend to display the following files in your web browsers because it's large text file. * http://www.hgc.jp/~shuichi/biohack2010/kegg-genes2pdb.ttl (KEGG GENES2PDB / PDB2KEGG GENES turtle: 730,602 triples) * http://www.hgc.jp/~shuichi/biohack2010/kegg-genes2kegg-ko.ttl (KEGG GENES2KO / KEGG KO2GENES turtle: 3,687,074 triples) * http://www.hgc.jp/~shuichi/biohack2010/kegg-ko2kegg-pathway.ttl (KEGG KO2PATHWAY / KEGG PATHWAY2KO turtle: 22,774 triples) * http://www.hgc.jp/~shuichi/biohack2010/kegg-genes2kegg-ko.ttl (KEGG GENES2NCBI GENE-ID / NCBI GENE-ID2KEGG GENES turtle: 3,687,074 triples) * http://www.hgc.jp/~shuichi/biohack2010/kegg-ko2definition.ttl (KEGG KO2KO definition turtle: 13,211 triples) * Total 14,391,245 triples = Reflect for pubmed = To use reflect on pubmed: http://reflect.cbs.dtu.dk/TEST/GetEntities?uri=http://www.ncbi.nlm.nih.gov/pubmed/20146332&entity_types=9606 The result will contain XML code like seen at [http://reflect.cbs.dtu.dk/restAPI.html http://reflect.cbs.dtu.dk/restAPI.html] = SPARQL endpoint = Room 415 network * Bio2RDF KEGG - http://192.168.11.61:8890/sparql/ * Bio2RDF PDB - http://192.168.11.61:8891/sparql/ * DDBJ+KEGG-PDBj - http://192.168.11.61:8892/sparql/ * PDBj - * KEGG - * DDBJ - Facet * Bio2RDF KEGG - http://192.168.11.61:8890/fct/ * Bio2RDF PDB - http://192.168.11.61:8891/fct/ * DDBJ-KEGG-PDBj - http://192.168.11.61:8892/fct/ * PDBj - * KEGG - * DDBJ - = Validating RDF/XML format = * http://librdf.org/parse = How to load data to virtuoso = First, in the '''virtuoso.ini''' file, set the following parameter {{{ DirsAllowed = ., /usr/local/virtuoso-opensource/share/virtuoso/vad, /tmp }}} So the directory /tmp is allowed to have data to be loaded. Then put the data file in /tmp (e.g., all.ttl, ddbj.rdf). {{{ % cat load.isql DB.DBA.TTLP_MT(file_to_string_output('/tmp/all.ttl'), '' ,'http://www.pdbj.org'); checkpoint; DB.DBA.RDF_LOAD_RDFXML(file_to_string_output('/tmp/lala.rdf'), '' ,'http://www.pdbj.org'); checkpoint; % isql 1111 dba dba < load.isql }}} Here the third argument for the functions '''TTLP_MT''' and '''RDF_LOAD_RDFXML''' is the name of the graph (in this case, it's '''http://www.pdbj.org'''). = Results? = [[wiki:DDBJ-KEGG-PDBj/Results]] Developed the following on-the-fly DDBJ interface of RDF, Web API and HTML page * URL which returns prototype RDF * http://sabi.ddbj.nig.ac.jp/ddbj/data/ e.g. http://sabi.ddbj.nig.ac.jp/ddbj/data/Z48241 * URL which returns in flatfile format (URI?) * http://sabi.ddbj.nig.ac.jp/ddbj/ e.g. http://sabi.ddbj.nig.ac.jp/ddbj/Z48241 * URL which redirects HTML page * http://sabi.ddbj.nig.ac.jp/ddbj/html/ e.g. http://sabi.ddbj.nig.ac.jp/ddbj/html/Z48241 Installed the following virtuoso at DDBJ site * http://sabi.ddbj.nig.ac.jp:8080/sparql FAQ: How many triples ? {{{ mnmq:pdbj bh10$ wc -l *.ttl 1018388 all.ttl 25991 ddbj.ttl 730602 kegg-genes2pdb.ttl 18988 kegg-hsa2kegg-ko.ttl 51438 kegg-hsa2ncbi-gene_id.ttl 22774 kegg-ko2kegg-pathway.ttl 15048785 kegg.ttl 61208 pubmed.ttl 831951 struct_title.ttl 57943 taxonomy.ttl 67286 uniprot.ttl }}} == PDBML2RDF == * The XSL stylesheet for converting PDBML Schema (pdbx-v32.xsd) to an OWL ontology is completed (pdbx2owl.xsl). * The XSL stylesheet for converting PDBML Schema (pdbx-v32.xsd) to the XSL stylesheet that converts PDBML files to RDF files is completed (pdbx2pdbml2rdf.xsl). * This converter generator also make internal cross-references within each PDB entry. However, there are a number of errors in the definition of cross-references in the PDBML Schema (using xsd:key and xsd:keyref), thus, the resulting cross-references are significantly flawed.