// $Id: // forester -- software libraries and applications // for genomics and evolutionary biology research. // // Copyright (C) 2010 Christian M Zmasek // Copyright (C) 2010 Sanford-Burnham Medical Research Institute // All rights reserved // // This library is free software; you can redistribute it and/or // modify it under the terms of the GNU Lesser General Public // License as published by the Free Software Foundation; either // version 2.1 of the License, or (at your option) any later version. // // This library is distributed in the hope that it will be useful, // but WITHOUT ANY WARRANTY; without even the implied warranty of // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU // Lesser General Public License for more details. // // You should have received a copy of the GNU Lesser General Public // License along with this library; if not, write to the Free Software // Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA // // Contact: phylosoft @ gmail . com // WWW: https://sites.google.com/site/cmzmasek/home/software/forester package org.forester.ws.seqdb; import java.io.BufferedReader; import java.io.IOException; import java.io.InputStreamReader; import java.io.UnsupportedEncodingException; import java.net.URL; import java.net.URLConnection; import java.net.URLEncoder; import java.util.ArrayList; import java.util.List; import java.util.SortedSet; import java.util.TreeSet; import org.forester.phylogeny.Phylogeny; import org.forester.phylogeny.PhylogenyNode; import org.forester.phylogeny.data.Accession; import org.forester.phylogeny.data.Identifier; import org.forester.phylogeny.data.Sequence; import org.forester.phylogeny.data.Taxonomy; import org.forester.phylogeny.iterators.PhylogenyNodeIterator; import org.forester.util.ForesterUtil; import org.forester.util.SequenceIdParser; public final class SequenceDbWsTools { private static final boolean ALLOW_TAXONOMY_CODE_HACKS = true; //TODO turn off for final realease! public final static String BASE_UNIPROT_URL = "http://www.uniprot.org/"; public final static String BASE_EMBL_DB_URL = "http://www.ebi.ac.uk/Tools/dbfetch/dbfetch/"; public final static String EMBL_DBS_EMBL = "embl"; public final static String EMBL_DBS_REFSEQ_P = "refseqp"; public final static String EMBL_DBS_REFSEQ_N = "refseqn"; private final static String URL_ENC = "UTF-8"; private final static boolean DEBUG = false; public static List getTaxonomiesFromCommonName( final String cn, final int max_taxonomies_return ) throws IOException { final List result = getTaxonomyStringFromCommonName( cn, max_taxonomies_return ); if ( result.size() > 0 ) { return parseUniProtTaxonomy( result ); } return null; } public static List getTaxonomiesFromCommonNameStrict( final String cn, final int max_taxonomies_return ) throws IOException { final List taxonomies = getTaxonomiesFromCommonName( cn, max_taxonomies_return ); if ( ( taxonomies != null ) && ( taxonomies.size() > 0 ) ) { final List filtered_taxonomies = new ArrayList(); for( final UniProtTaxonomy taxonomy : taxonomies ) { if ( taxonomy.getCommonName().equalsIgnoreCase( cn ) ) { filtered_taxonomies.add( taxonomy ); } } return filtered_taxonomies; } return null; } public static List getTaxonomiesFromId( final String id, final int max_taxonomies_return ) throws IOException { final List result = getTaxonomyStringFromId( id, max_taxonomies_return ); if ( result.size() > 0 ) { return parseUniProtTaxonomy( result ); } return null; } public static List getTaxonomiesFromScientificName( final String sn, final int max_taxonomies_return ) throws IOException { // Hack! Craniata? .. if ( sn.equals( "Drosophila" ) ) { return uniProtTaxonomyToList( UniProtTaxonomy.DROSOPHILA_GENUS ); } else if ( sn.equals( "Xenopus" ) ) { return uniProtTaxonomyToList( UniProtTaxonomy.XENOPUS_GENUS ); } // else if ( sn.equals( "Nucleariidae and Fonticula group" ) ) { // return hack( UniProtTaxonomy.NUCLEARIIDAE_AND_FONTICULA ); // } final List result = getTaxonomyStringFromScientificName( sn, max_taxonomies_return ); if ( result.size() > 0 ) { return parseUniProtTaxonomy( result ); } return null; } /** * Does not return "sub-types". * For example, for "Mus musculus" only returns "Mus musculus" * and not "Mus musculus", "Mus musculus bactrianus", ... * */ public static List getTaxonomiesFromScientificNameStrict( final String sn, final int max_taxonomies_return ) throws IOException { final List taxonomies = getTaxonomiesFromScientificName( sn, max_taxonomies_return ); if ( ( taxonomies != null ) && ( taxonomies.size() > 0 ) ) { final List filtered_taxonomies = new ArrayList(); for( final UniProtTaxonomy taxonomy : taxonomies ) { if ( taxonomy.getScientificName().equalsIgnoreCase( sn ) ) { filtered_taxonomies.add( taxonomy ); } } return filtered_taxonomies; } return null; } public static List getTaxonomiesFromTaxonomyCode( final String code, final int max_taxonomies_return ) throws IOException { final String my_code = new String( code ); if ( ALLOW_TAXONOMY_CODE_HACKS ) { final List l = resolveFakeTaxonomyCodes( max_taxonomies_return, my_code ); if ( l != null ) { return l; } } final List result = getTaxonomyStringFromTaxonomyCode( my_code, max_taxonomies_return ); if ( result.size() > 0 ) { return parseUniProtTaxonomy( result ); } return null; } public static SequenceDatabaseEntry obtainEmblEntry( final Identifier id, final int max_lines_to_return ) throws IOException { final List lines = queryEmblDb( id, max_lines_to_return ); return EbiDbEntry.createInstanceFromPlainText( lines ); } public static SequenceDatabaseEntry obtainRefSeqEntryFromEmbl( final Identifier id, final int max_lines_to_return ) throws IOException { final List lines = queryEmblDb( id, max_lines_to_return ); return EbiDbEntry.createInstanceFromPlainTextForRefSeq( lines ); } public static SortedSet obtainSeqInformation( final Phylogeny phy, final boolean ext_nodes_only, final boolean allow_to_set_taxonomic_data, final int lines_to_return ) throws IOException { final SortedSet not_found = new TreeSet(); for( final PhylogenyNodeIterator iter = phy.iteratorPostorder(); iter.hasNext(); ) { final PhylogenyNode node = iter.next(); if ( ext_nodes_only && node.isInternal() ) { continue; } String query = null; Identifier id = null; Db db = Db.NONE; if ( node.getNodeData().isHasSequence() && ( node.getNodeData().getSequence().getAccession() != null ) && !ForesterUtil.isEmpty( node.getNodeData().getSequence().getAccession().getSource() ) && !ForesterUtil.isEmpty( node.getNodeData().getSequence().getAccession().getValue() ) && node.getNodeData().getSequence().getAccession().getValue().toLowerCase().startsWith( "uniprot" ) ) { query = node.getNodeData().getSequence().getAccession().getValue(); db = Db.UNIPROT; } else if ( node.getNodeData().isHasSequence() && ( node.getNodeData().getSequence().getAccession() != null ) && !ForesterUtil.isEmpty( node.getNodeData().getSequence().getAccession().getSource() ) && !ForesterUtil.isEmpty( node.getNodeData().getSequence().getAccession().getValue() ) && ( node.getNodeData().getSequence().getAccession().getValue().toLowerCase().startsWith( "embl" ) || node .getNodeData().getSequence().getAccession().getValue().toLowerCase().startsWith( "ebi" ) ) ) { query = node.getNodeData().getSequence().getAccession().getValue(); db = Db.EMBL; } else if ( !ForesterUtil.isEmpty( node.getName() ) ) { if ( ( query = ForesterUtil.extractUniProtKbProteinSeqIdentifier( node ) ) != null ) { db = Db.UNIPROT; } else if ( ( id = SequenceIdParser.parse( node.getName() ) ) != null ) { if ( id.getProvider().equalsIgnoreCase( Identifier.NCBI ) ) { db = Db.NCBI; } else if ( id.getProvider().equalsIgnoreCase( Identifier.REFSEQ ) ) { db = Db.REFSEQ; } } } if ( db == Db.NONE ) { not_found.add( node.getName() ); } SequenceDatabaseEntry db_entry = null; if ( !ForesterUtil.isEmpty( query ) ) { if ( db == Db.UNIPROT ) { if ( DEBUG ) { System.out.println( "uniprot: " + query ); } db_entry = obtainUniProtEntry( query, lines_to_return ); } if ( ( db == Db.EMBL ) || ( ( db == Db.UNIPROT ) && ( db_entry == null ) ) ) { if ( DEBUG ) { System.out.println( "embl: " + query ); } db_entry = obtainEmblEntry( new Identifier( query ), lines_to_return ); if ( ( db == Db.UNIPROT ) && ( db_entry != null ) ) { db = Db.EMBL; } } } else if ( ( db == Db.REFSEQ ) && ( id != null ) ) { db_entry = obtainRefSeqEntryFromEmbl( id, lines_to_return ); } else if ( ( db == Db.NCBI ) && ( id != null ) ) { db_entry = obtainEmblEntry( id, lines_to_return ); //TODO ? } if ( ( db_entry != null ) && !db_entry.isEmpty() ) { final Sequence seq = node.getNodeData().isHasSequence() ? node.getNodeData().getSequence() : new Sequence(); if ( !ForesterUtil.isEmpty( db_entry.getAccession() ) ) { String type = null; if ( db == Db.EMBL ) { type = "embl"; } else if ( db == Db.UNIPROT ) { type = "uniprot"; } else if ( db == Db.NCBI ) { type = "ncbi"; } else if ( db == Db.REFSEQ ) { type = "refseq"; } seq.setAccession( new Accession( db_entry.getAccession(), type ) ); } if ( !ForesterUtil.isEmpty( db_entry.getSequenceName() ) ) { seq.setName( db_entry.getSequenceName() ); } if ( !ForesterUtil.isEmpty( db_entry.getSequenceSymbol() ) ) { seq.setSymbol( db_entry.getSequenceSymbol() ); } final Taxonomy tax = node.getNodeData().isHasTaxonomy() ? node.getNodeData().getTaxonomy() : new Taxonomy(); if ( !ForesterUtil.isEmpty( db_entry.getTaxonomyScientificName() ) ) { tax.setScientificName( db_entry.getTaxonomyScientificName() ); } if ( allow_to_set_taxonomic_data && !ForesterUtil.isEmpty( db_entry.getTaxonomyIdentifier() ) ) { tax.setIdentifier( new Identifier( db_entry.getTaxonomyIdentifier(), "uniprot" ) ); } node.getNodeData().setTaxonomy( tax ); node.getNodeData().setSequence( seq ); } else if ( db != Db.NONE ) { not_found.add( node.getName() ); } try { Thread.sleep( 10 );// Sleep for 10 ms } catch ( final InterruptedException ie ) { } } return not_found; } public static SequenceDatabaseEntry obtainUniProtEntry( final String query, final int max_lines_to_return ) throws IOException { final List lines = queryUniprot( "uniprot/" + query + ".txt", max_lines_to_return ); return UniProtEntry.createInstanceFromPlainText( lines ); } public static List queryDb( final String query, int max_lines_to_return, final String base_url ) throws IOException { if ( ForesterUtil.isEmpty( query ) ) { throw new IllegalArgumentException( "illegal attempt to use empty query " ); } if ( max_lines_to_return < 1 ) { max_lines_to_return = 1; } final URL url = new URL( base_url + query ); if ( DEBUG ) { System.out.println( "url: " + url.toString() ); } final URLConnection urlc = url.openConnection(); final BufferedReader in = new BufferedReader( new InputStreamReader( urlc.getInputStream() ) ); String line; final List result = new ArrayList(); while ( ( line = in.readLine() ) != null ) { if ( DEBUG ) { System.out.println( line ); } result.add( line ); if ( result.size() > max_lines_to_return ) { break; } } in.close(); try { // To prevent accessing online dbs in too quick succession. Thread.sleep( 20 ); } catch ( final InterruptedException e ) { e.printStackTrace(); } return result; } public static List queryEmblDb( final Identifier id, final int max_lines_to_return ) throws IOException { final StringBuilder url_sb = new StringBuilder(); url_sb.append( BASE_EMBL_DB_URL ); if ( ForesterUtil.isEmpty( id.getProvider() ) || id.getProvider().equalsIgnoreCase( Identifier.NCBI ) ) { url_sb.append( SequenceDbWsTools.EMBL_DBS_EMBL ); url_sb.append( '/' ); } else if ( id.getProvider().equalsIgnoreCase( Identifier.REFSEQ ) ) { if ( id.getValue().toUpperCase().indexOf( 'P' ) == 1 ) { url_sb.append( SequenceDbWsTools.EMBL_DBS_REFSEQ_P ); url_sb.append( '/' ); } else { url_sb.append( SequenceDbWsTools.EMBL_DBS_REFSEQ_N ); url_sb.append( '/' ); } } return queryDb( id.getValue(), max_lines_to_return, url_sb.toString() ); } public static List queryUniprot( final String query, final int max_lines_to_return ) throws IOException { return queryDb( query, max_lines_to_return, BASE_UNIPROT_URL ); } private static String encode( final String str ) throws UnsupportedEncodingException { return URLEncoder.encode( str.trim(), URL_ENC ); } private static List getTaxonomyStringFromCommonName( final String cn, final int max_lines_to_return ) throws IOException { return queryUniprot( "taxonomy/?query=common%3a%22" + encode( cn ) + "%22&format=tab", max_lines_to_return ); } private static List getTaxonomyStringFromId( final String id, final int max_lines_to_return ) throws IOException { return queryUniprot( "taxonomy/?query=id%3a%22" + encode( id ) + "%22&format=tab", max_lines_to_return ); } private static List getTaxonomyStringFromScientificName( final String sn, final int max_lines_to_return ) throws IOException { return queryUniprot( "taxonomy/?query=scientific%3a%22" + encode( sn ) + "%22&format=tab", max_lines_to_return ); } private static List getTaxonomyStringFromTaxonomyCode( final String code, final int max_lines_to_return ) throws IOException { return queryUniprot( "taxonomy/?query=mnemonic%3a%22" + encode( code ) + "%22&format=tab", max_lines_to_return ); } private static List parseUniProtTaxonomy( final List result ) throws IOException { final List taxonomies = new ArrayList(); for( final String line : result ) { if ( ForesterUtil.isEmpty( line ) ) { // Ignore empty lines. } else if ( line.startsWith( "Taxon" ) ) { final String[] items = line.split( "\t" ); if ( !( items[ 1 ].equalsIgnoreCase( "Mnemonic" ) && items[ 2 ].equalsIgnoreCase( "Scientific name" ) && items[ 3 ].equalsIgnoreCase( "Common name" ) && items[ 4 ].equalsIgnoreCase( "Synonym" ) && items[ 5 ].equalsIgnoreCase( "Other Names" ) && items[ 6 ].equalsIgnoreCase( "Reviewed" ) && items[ 7 ].equalsIgnoreCase( "Rank" ) && items[ 8 ].equalsIgnoreCase( "Lineage" ) ) ) { throw new IOException( "Unreconized UniProt Taxonomy format: " + line ); } } else { if ( line.split( "\t" ).length > 4 ) { taxonomies.add( new UniProtTaxonomy( line ) ); } } } return taxonomies; } private static List resolveFakeTaxonomyCodes( final int max_taxonomies_return, final String code ) throws IOException { if ( code.equals( "CAP" ) ) { return getTaxonomiesFromId( "283909", max_taxonomies_return ); } else if ( code.equals( "FUGRU" ) ) { return getTaxonomiesFromId( "31033", max_taxonomies_return ); } else if ( code.equals( "GIALA" ) ) { return getTaxonomiesFromId( "5741", max_taxonomies_return ); } else if ( code.equals( "TRIVE" ) ) { return getTaxonomiesFromId( "413071", max_taxonomies_return ); } else if ( code.equals( "CAPOWC" ) ) { return getTaxonomiesFromId( "192875", max_taxonomies_return ); } else if ( code.equals( "SPHARC" ) ) { return getTaxonomiesFromId( "667725", max_taxonomies_return ); } else if ( code.equals( "THETRA" ) ) { return getTaxonomiesFromId( "529818", max_taxonomies_return ); } else if ( code.equals( "CHLVUL" ) ) { return getTaxonomiesFromId( "574566", max_taxonomies_return ); } else if ( code.equals( "CITCLE" ) ) { return getTaxonomiesFromId( "85681", max_taxonomies_return ); } else if ( code.equals( "MYCPOP" ) ) { return getTaxonomiesFromId( "85929", max_taxonomies_return ); } else if ( code.equals( "AGABB" ) ) { return getTaxonomiesFromId( "597362", max_taxonomies_return ); } else if ( code.equals( "BAUCOM" ) ) { return getTaxonomiesFromId( "430998", max_taxonomies_return ); } else if ( code.equals( "DICSQU" ) ) { return getTaxonomiesFromId( "114155", max_taxonomies_return ); } else if ( code.equals( "FOMPIN" ) ) { return getTaxonomiesFromId( "40483", max_taxonomies_return ); } else if ( code.equals( "HYDMA" ) ) { return getTaxonomiesFromId( "6085", max_taxonomies_return ); } else if ( code.equals( "MYCFI" ) ) { return getTaxonomiesFromId( "83344", max_taxonomies_return ); } else if ( code.equals( "OIDMAI" ) ) { return getTaxonomiesFromId( "78148", max_taxonomies_return ); } else if ( code.equals( "OSTRC" ) ) { return getTaxonomiesFromId( "385169", max_taxonomies_return ); } else if ( code.equals( "POSPL" ) ) { return getTaxonomiesFromId( "104341", max_taxonomies_return ); } else if ( code.equals( "SAICOM" ) ) { return getTaxonomiesFromId( "5606", max_taxonomies_return ); } else if ( code.equals( "SERLA" ) ) { return getTaxonomiesFromId( "85982", max_taxonomies_return ); } else if ( code.equals( "SPORO" ) ) { return getTaxonomiesFromId( "40563", max_taxonomies_return ); } else if ( code.equals( "ACRALC" ) ) { return getTaxonomiesFromId( "398408", max_taxonomies_return ); } else if ( code.equals( "THITER" ) ) { return getTaxonomiesFromId( "35720", max_taxonomies_return ); } else if ( code.equals( "MYCTHE" ) ) { return getTaxonomiesFromId( "78579", max_taxonomies_return ); } else if ( code.equals( "CONPUT" ) ) { return getTaxonomiesFromId( "80637", max_taxonomies_return ); } else if ( code.equals( "WOLCOC" ) ) { return getTaxonomiesFromId( "81056", max_taxonomies_return ); } else if ( code.equals( "CLAGRA" ) ) { return getTaxonomiesFromId( "27339", max_taxonomies_return ); } else if ( code.equals( "XANPAR" ) ) { return getTaxonomiesFromId( "107463", max_taxonomies_return ); } else if ( code.equals( "HYDPIN" ) ) { return getTaxonomiesFromId( "388859", max_taxonomies_return ); } else if ( code.equals( "SERLAC" ) ) { return getTaxonomiesFromId( "85982", max_taxonomies_return ); } else { return null; } } private static List uniProtTaxonomyToList( final UniProtTaxonomy tax ) { final List l = new ArrayList(); l.add( tax ); return l; } public enum Db { UNIPROT, EMBL, NCBI, NONE, REFSEQ; } }