// $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.util.List; import java.util.SortedSet; import java.util.TreeSet; import java.util.regex.Matcher; import java.util.regex.Pattern; import org.forester.go.BasicGoTerm; import org.forester.go.GoNameSpace; import org.forester.go.GoTerm; import org.forester.phylogeny.data.Accession; import org.forester.phylogeny.data.Annotation; import org.forester.sequence.BasicSequence; import org.forester.sequence.MolecularSequence; import org.forester.util.ForesterUtil; public final class UniProtEntry implements SequenceDatabaseEntry { public final static Pattern BindingDB_PATTERN = Pattern.compile( "BindingDB;\\s+([0-9A-Z]+);" ); public final static Pattern CTD_PATTERN = Pattern.compile( "CTD;\\s+(\\d+);" ); public final static Pattern DrugBank_PATTERN = Pattern.compile( "DrugBank;\\s+([0-9A-Z]+);\\s+([^\\.]+)" ); public final static Pattern GO_PATTERN = Pattern.compile( "GO;\\s+(GO:\\d+);\\s+([PFC]):([^;]+);" ); public final static Pattern KEGG_PATTERN = Pattern.compile( "KEGG;\\s+([a-z]+:[0-9]+);" ); public final static Pattern MIM_PATTERN = Pattern.compile( "MIM;\\s+(\\d+);" ); public final static Pattern NextBio_PATTERN = Pattern.compile( "NextBio;\\s+(\\d+);" ); public final static Pattern Orphanet_PATTERN = Pattern.compile( "Orphanet;\\s+(\\d+);\\s+([^\\.]+)" ); public final static Pattern PDB_PATTERN = Pattern.compile( "PDB;\\s+([0-9A-Z]{4});\\s+([^;]+)" ); public final static Pattern PharmGKB_PATTERN = Pattern.compile( "PharmGKB;\\s+([0-9A-Z]+);" ); public final static Pattern Reactome_PATTERN = Pattern.compile( "Reactome;\\s+([0-9A-Z]+);\\s+([^\\.]+)" ); public final static Pattern HGNC_PATTERN = Pattern.compile( "HGNC;\\s+HGNC:(\\d+);" ); private String _ac; private SortedSet _cross_references; private String _gene_name; private SortedSet _go_terms; private String _name; private String _os_scientific_name; private String _symbol; private String _tax_id; private MolecularSequence _mol_seq; private UniProtEntry() { } @Override public Object clone() throws CloneNotSupportedException { throw new CloneNotSupportedException(); } @Override public String getAccession() { return _ac; } @Override public SortedSet getCrossReferences() { return _cross_references; } @Override public String getGeneName() { return _gene_name; } @Override public SortedSet getGoTerms() { return _go_terms; } @Override public String getProvider() { return "uniprot"; } @Override public String getSequenceName() { return _name; } @Override public String getSequenceSymbol() { return _symbol; } @Override public String getTaxonomyIdentifier() { return _tax_id; } @Override public String getTaxonomyScientificName() { return _os_scientific_name; } @Override public boolean isEmpty() { return ( ForesterUtil.isEmpty( getAccession() ) && ForesterUtil.isEmpty( getSequenceName() ) && ForesterUtil.isEmpty( getTaxonomyScientificName() ) && ForesterUtil.isEmpty( getSequenceSymbol() ) && ForesterUtil.isEmpty( getGeneName() ) && ForesterUtil.isEmpty( getTaxonomyIdentifier() ) && ForesterUtil.isEmpty( getSequenceSymbol() ) && ( ( getGoTerms() == null ) || getGoTerms().isEmpty() ) && ( ( getCrossReferences() == null ) || getCrossReferences() .isEmpty() ) ); } private void addCrossReference( final Accession accession ) { if ( _cross_references == null ) { _cross_references = new TreeSet(); } _cross_references.add( accession ); } private void addGoTerm( final BasicGoTerm g ) { if ( _go_terms == null ) { _go_terms = new TreeSet(); } _go_terms.add( g ); } private void setAc( final String ac ) { if ( _ac == null ) { _ac = ac; } } private void setMolecularSequence( final MolecularSequence mol_seq ) { _mol_seq = mol_seq; } private void setGeneName( final String gene_name ) { if ( _gene_name == null ) { _gene_name = gene_name; } } private void setOsScientificName( final String os_scientific_name ) { if ( _os_scientific_name == null ) { _os_scientific_name = os_scientific_name; } } private void setSequenceName( final String name ) { if ( _name == null ) { _name = name; } } private void setSequenceSymbol( final String symbol ) { _symbol = symbol; } private void setTaxId( final String tax_id ) { if ( _tax_id == null ) { _tax_id = tax_id; } } public static SequenceDatabaseEntry createInstanceFromPlainText( final List lines ) { final UniProtEntry e = new UniProtEntry(); boolean saw_sq = false; final StringBuffer sq_buffer = new StringBuffer(); boolean is_aa = false; for( final String line : lines ) { //System.out.println( line ); if ( line.startsWith( "AC" ) ) { e.setAc( SequenceDbWsTools.extractFromTo( line, "AC", ";" ) ); } else if ( line.startsWith( "DE" ) && ForesterUtil.isEmpty( e.getSequenceName() ) ) { if ( ( line.indexOf( "RecName:" ) > 0 ) && ( line.indexOf( "Full=" ) > 0 ) ) { e.setSequenceName( SequenceDbWsTools.extractFromTo( line, "Full=", ";" ) ); } else if ( ( line.indexOf( "SubName:" ) > 0 ) && ( line.indexOf( "Full=" ) > 0 ) ) { e.setSequenceName( SequenceDbWsTools.extractFromTo( line, "Full=", ";" ) ); } } else if ( line.startsWith( "DE" ) && ForesterUtil.isEmpty( e.getSequenceSymbol() ) ) { if ( line.indexOf( "Short=" ) > 0 ) { e.setSequenceSymbol( SequenceDbWsTools.extractFromTo( line, "Short=", ";" ) ); } } else if ( line.startsWith( "GN" ) && ForesterUtil.isEmpty( e.getGeneName() ) ) { if ( line.indexOf( "Name=" ) > 0 ) { e.setGeneName( SequenceDbWsTools.extractFromTo( line, "Name=", ";" ) ); } } else if ( line.startsWith( "DR" ) ) { if ( line.indexOf( "GO;" ) > 0 ) { final Matcher m = GO_PATTERN.matcher( line ); if ( m.find() ) { final String id = m.group( 1 ); final String ns_str = m.group( 2 ); final String desc = m.group( 3 ); String gns = GoNameSpace.BIOLOGICAL_PROCESS_STR; if ( ns_str.equals( "F" ) ) { gns = GoNameSpace.MOLECULAR_FUNCTION_STR; } else if ( ns_str.equals( "C" ) ) { gns = GoNameSpace.CELLULAR_COMPONENT_STR; } e.addGoTerm( new BasicGoTerm( id, desc, gns, false ) ); } } else if ( line.indexOf( "PDB;" ) > 0 ) { final Matcher m = PDB_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "PDB", m.group( 2 ) ) ); } } else if ( line.indexOf( "KEGG;" ) > 0 ) { final Matcher m = KEGG_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "KEGG" ) ); } } else if ( line.indexOf( "CTD;" ) > 0 ) { final Matcher m = CTD_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "CTD" ) ); } } else if ( line.indexOf( "MIM;" ) > 0 ) { final Matcher m = MIM_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "MIM" ) ); } } else if ( line.indexOf( "Orphanet;" ) > 0 ) { final Matcher m = Orphanet_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "Orphanet", m.group( 2 ) ) ); } } else if ( line.indexOf( "PharmGKB;" ) > 0 ) { final Matcher m = PharmGKB_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "PharmGKB" ) ); } } else if ( line.indexOf( "BindingDB;" ) > 0 ) { final Matcher m = BindingDB_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "BindingDB" ) ); } } else if ( line.indexOf( "DrugBank;" ) > 0 ) { final Matcher m = DrugBank_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "DrugBank", m.group( 2 ) ) ); } } else if ( line.indexOf( "NextBio;" ) > 0 ) { final Matcher m = NextBio_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "NextBio" ) ); } } else if ( line.indexOf( "Reactome;" ) > 0 ) { final Matcher m = Reactome_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "Reactome", m.group( 2 ) ) ); } } else if ( line.indexOf( "HGNC;" ) > 0 ) { final Matcher m = HGNC_PATTERN.matcher( line ); if ( m.find() ) { e.addCrossReference( new Accession( m.group( 1 ), "HGNC" ) ); } } } else if ( line.startsWith( "OS" ) ) { if ( line.indexOf( "(" ) > 0 ) { e.setOsScientificName( SequenceDbWsTools.extractFromTo( line, "OS", "(" ) ); } else { e.setOsScientificName( SequenceDbWsTools.extractFromTo( line, "OS", "." ) ); } } else if ( line.startsWith( "OX" ) ) { if ( line.indexOf( "NCBI_TaxID=" ) > 0 ) { e.setTaxId( SequenceDbWsTools.extractFromTo( line, "NCBI_TaxID=", ";" ) ); } } else if ( line.startsWith( "SQ" ) ) { saw_sq = true; if ( line.contains( "AA;" ) ) { is_aa = true; } } else if ( saw_sq && line.startsWith( " " ) ) { sq_buffer.append( line.replaceAll( "\\s+", "" ) ); } } if ( ( sq_buffer.length() > 0 ) && is_aa ) { e.setMolecularSequence( BasicSequence.createAaSequence( e.getAccession(), sq_buffer.toString() ) ); } return e; } @Override public SortedSet getAnnotations() { return null; } @Override public String getMap() { return null; } @Override public String getChromosome() { return null; } @Override public MolecularSequence getMolecularSequence() { return _mol_seq; } }