/* * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) * Copyright (C) $$Year-Rel$$ The Jalview Authors * * This file is part of Jalview. * * Jalview is free software: you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation, either version 3 * of the License, or (at your option) any later version. * * Jalview 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 General Public License for more details. * * You should have received a copy of the GNU General Public License * along with Jalview. If not, see . * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.ws.dbsources; import jalview.bin.Cache; import jalview.datamodel.Alignment; import jalview.datamodel.AlignmentI; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; import jalview.datamodel.PDBEntry; import jalview.datamodel.Sequence; import jalview.datamodel.SequenceFeature; import jalview.datamodel.SequenceI; import jalview.datamodel.xdb.uniprot.UniprotEntry; import jalview.datamodel.xdb.uniprot.UniprotFeature; import jalview.datamodel.xdb.uniprot.UniprotFile; import jalview.schemes.ResidueProperties; import jalview.util.StringUtils; import jalview.ws.seqfetcher.DbSourceProxyImpl; import java.io.InputStream; import java.io.InputStreamReader; import java.io.Reader; import java.net.URL; import java.net.URLConnection; import java.util.ArrayList; import java.util.List; import java.util.Vector; import org.exolab.castor.mapping.Mapping; import org.exolab.castor.xml.Unmarshaller; import com.stevesoft.pat.Regex; /** * @author JimP * */ public class Uniprot extends DbSourceProxyImpl { private static final String DEFAULT_UNIPROT_DOMAIN = "https://www.uniprot.org"; private static final String BAR_DELIMITER = "|"; /* * Castor mapping loaded from uniprot_mapping.xml */ private static Mapping map; /** * Constructor */ public Uniprot() { super(); } private String getDomain() { return Cache.getDefault("UNIPROT_DOMAIN", DEFAULT_UNIPROT_DOMAIN); } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getAccessionSeparator() */ @Override public String getAccessionSeparator() { return null; } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getAccessionValidator() */ @Override public Regex getAccessionValidator() { return new Regex("([A-Z]+[0-9]+[A-Z0-9]+|[A-Z0-9]+_[A-Z0-9]+)"); } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getDbSource() */ @Override public String getDbSource() { return DBRefSource.UNIPROT; } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getDbVersion() */ @Override public String getDbVersion() { return "0"; // we really don't know what version we're on. } /** * Reads a file containing the reply to the EBI Fetch Uniprot data query, * unmarshals it to a UniprotFile object, and returns the list of UniprotEntry * data models (mapped from <entry> elements) * * @param fileReader * @return */ public Vector getUniprotEntries(Reader fileReader) { UniprotFile uni = new UniprotFile(); try { if (map == null) { // 1. Load the mapping information from the file map = new Mapping(uni.getClass().getClassLoader()); URL url = getClass().getResource("/uniprot_mapping.xml"); map.loadMapping(url); } // 2. Unmarshal the data Unmarshaller unmar = new Unmarshaller(uni); unmar.setIgnoreExtraElements(true); unmar.setMapping(map); if (fileReader != null) { uni = (UniprotFile) unmar.unmarshal(fileReader); } } catch (Exception e) { System.out.println("Error getUniprotEntries() " + e); } return uni.getUniprotEntries(); } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getSequenceRecords(java.lang.String[]) */ @Override public AlignmentI getSequenceRecords(String queries) throws Exception { startQuery(); try { queries = queries.toUpperCase().replaceAll( "(UNIPROT\\|?|UNIPROT_|UNIREF\\d+_|UNIREF\\d+\\|?)", ""); AlignmentI al = null; String downloadstring = getDomain() + "/uniprot/" + queries + ".xml"; URL url = null; URLConnection urlconn = null; url = new URL(downloadstring); urlconn = url.openConnection(); InputStream istr = urlconn.getInputStream(); Vector entries = getUniprotEntries( new InputStreamReader(istr, "UTF-8")); if (entries != null) { ArrayList seqs = new ArrayList<>(); for (UniprotEntry entry : entries) { seqs.add(uniprotEntryToSequenceI(entry)); } al = new Alignment(seqs.toArray(new SequenceI[0])); } stopQuery(); return al; } catch (Exception e) { throw (e); } finally { stopQuery(); } } /** * * @param entry * UniprotEntry * @return SequenceI instance created from the UniprotEntry instance */ public SequenceI uniprotEntryToSequenceI(UniprotEntry entry) { String id = getUniprotEntryId(entry); SequenceI sequence = new Sequence(id, entry.getUniprotSequence().getContent()); sequence.setDescription(getUniprotEntryDescription(entry)); final String dbVersion = getDbVersion(); ArrayList dbRefs = new ArrayList<>(); for (String accessionId : entry.getAccession()) { DBRefEntry dbRef = new DBRefEntry(DBRefSource.UNIPROT, dbVersion, accessionId); // mark dbRef as a primary reference for this sequence dbRefs.add(dbRef); } Vector onlyPdbEntries = new Vector<>(); for (PDBEntry pdb : entry.getDbReference()) { DBRefEntry dbr = new DBRefEntry(); dbr.setSource(pdb.getType()); dbr.setAccessionId(pdb.getId()); dbr.setVersion(DBRefSource.UNIPROT + ":" + dbVersion); dbRefs.add(dbr); if ("PDB".equals(pdb.getType())) { onlyPdbEntries.addElement(pdb); } if ("EMBL".equals(pdb.getType())) { // look for a CDS reference and add it, too. String cdsId = (String) pdb.getProperty("protein sequence ID"); if (cdsId != null && cdsId.trim().length() > 0) { // remove version String[] vrs = cdsId.split("\\."); dbr = new DBRefEntry(DBRefSource.EMBLCDS, vrs.length > 1 ? vrs[1] : DBRefSource.UNIPROT + ":" + dbVersion, vrs[0]); dbRefs.add(dbr); } } if ("Ensembl".equals(pdb.getType())) { /*UniprotXML * * * * * */ String cdsId = (String) pdb.getProperty("protein sequence ID"); if (cdsId != null && cdsId.trim().length() > 0) { dbr = new DBRefEntry(DBRefSource.ENSEMBL, DBRefSource.UNIPROT + ":" + dbVersion, cdsId.trim()); dbRefs.add(dbr); } } } sequence.setPDBId(onlyPdbEntries); if (entry.getFeature() != null) { for (UniprotFeature uf : entry.getFeature()) { SequenceFeature copy = new SequenceFeature(uf.getType(), getDescription(uf), uf.getBegin(), uf.getEnd(), "Uniprot"); copy.setStatus(uf.getStatus()); sequence.addSequenceFeature(copy); } } for (DBRefEntry dbr : dbRefs) { sequence.addDBRef(dbr); } return sequence; } /** * Constructs a feature description from the description and (optionally) * original and variant fields of the Uniprot XML feature * * @param uf * @return */ protected static String getDescription(UniprotFeature uf) { String orig = uf.getOriginal(); List variants = uf.getVariation(); StringBuilder sb = new StringBuilder(); /* * append variant in standard format if present * e.g. p.Arg59Lys * multiple variants are split over lines using
*/ boolean asHtml = false; if (orig != null && !orig.isEmpty() && variants != null && !variants.isEmpty()) { int p = 0; for (String var : variants) { // TODO proper HGVS nomenclature for delins structural variations // http://varnomen.hgvs.org/recommendations/protein/variant/delins/ // for now we are pragmatic - any orig/variant sequence longer than // three characters is shown with single-character notation rather than // three-letter notation sb.append("p."); if (orig.length() < 4) { for (int c = 0, clen = orig.length(); c < clen; c++) { char origchar = orig.charAt(c); String orig3 = ResidueProperties.aa2Triplet.get("" + origchar); sb.append(orig3 == null ? origchar : StringUtils.toSentenceCase(orig3)); } } else { sb.append(orig); } sb.append(Integer.toString(uf.getPosition())); if (var.length() < 4) { for (int c = 0, clen = var.length(); c < clen; c++) { char varchar = var.charAt(c); String var3 = ResidueProperties.aa2Triplet.get("" + varchar); sb.append(var3 != null ? StringUtils.toSentenceCase(var3) : "" + varchar); } } else { sb.append(var); } if (++p != variants.size()) { sb.append("
  "); asHtml = true; } else { sb.append(" "); } } } String description = uf.getDescription(); if (description != null) { sb.append(description); } if (asHtml) { sb.insert(0, ""); sb.append(""); } return sb.toString(); } /** * * @param entry * UniportEntry * @return protein name(s) delimited by a white space character */ public static String getUniprotEntryDescription(UniprotEntry entry) { StringBuilder desc = new StringBuilder(32); if (entry.getProtein() != null && entry.getProtein().getName() != null) { boolean first = true; for (String nm : entry.getProtein().getName()) { if (!first) { desc.append(" "); } first = false; desc.append(nm); } } return desc.toString(); } /** * * @param entry * UniprotEntry * @return The accession id(s) and name(s) delimited by '|'. */ public static String getUniprotEntryId(UniprotEntry entry) { StringBuilder name = new StringBuilder(32); for (String n : entry.getName()) { if (name.length() > 0) { name.append(BAR_DELIMITER); } name.append(n); } return name.toString(); } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#isValidReference(java.lang.String) */ @Override public boolean isValidReference(String accession) { // TODO: make the following a standard validator return (accession == null || accession.length() < 2) ? false : getAccessionValidator().search(accession); } /** * return LDHA_CHICK uniprot entry */ @Override public String getTestQuery() { return "P00340"; } @Override public String getDbName() { return "Uniprot"; // getDbSource(); } @Override public int getTier() { return 0; } }