/* * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2) * Copyright (C) 2014 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.datamodel.Alignment; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; import java.util.ArrayList; import java.util.List; import java.util.Vector; import MCview.PDBChain; import MCview.PDBfile; import com.stevesoft.pat.Regex; import jalview.datamodel.AlignmentI; import jalview.io.FormatAdapter; import jalview.ws.ebi.EBIFetchClient; import jalview.ws.seqfetcher.DbSourceProxy; /** * @author JimP * */ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy { public Pdb() { super(); addDbSourceProperty(DBRefSource.PROTSEQDB); } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getAccessionSeparator() */ public String getAccessionSeparator() { // TODO Auto-generated method stub return null; } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getAccessionValidator() */ public Regex getAccessionValidator() { return new Regex("([1-9][0-9A-Za-z]{3}):?([ _A-Za-z0-9]?)"); } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getDbSource() */ public String getDbSource() { return DBRefSource.PDB; } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getDbVersion() */ public String getDbVersion() { return "0"; } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#getSequenceRecords(java.lang.String[]) */ public AlignmentI getSequenceRecords(String queries) throws Exception { AlignmentI pdbfile = null; Vector result = new Vector(); String chain = null; String id = null; if (queries.indexOf(":") > -1) { chain = queries.substring(queries.indexOf(":") + 1); id = queries.substring(0, queries.indexOf(":")); } else { id = queries; } if (queries.length() > 4 && chain == null) { chain = queries.substring(4, 5); id = queries.substring(0, 4); } if (!isValidReference(id)) { System.err.println("Ignoring invalid pdb query: '" + id + "'"); stopQuery(); return null; } EBIFetchClient ebi = new EBIFetchClient(); file = ebi.fetchDataAsFile("pdb:" + id, "pdb", "raw").getAbsolutePath(); stopQuery(); if (file == null) { return null; } try { pdbfile = new FormatAdapter().readFile(file, jalview.io.AppletFormatAdapter.FILE, "PDB"); if (pdbfile != null) { List toremove=new ArrayList(); for (SequenceI pdbcs : pdbfile.getSequences()) { String chid = null; // Mapping map=null; for (PDBEntry pid : (Vector) pdbcs.getPDBId()) { if (pid.getFile() == file) { chid = (String) pid.getProperty().get("CHAIN"); } ; } if (chain == null || (chid != null && (chid.equals(chain) || chid.trim().equals(chain.trim()) || (chain .trim().length() == 0 && chid.equals("_"))))) { pdbcs.setName(jalview.datamodel.DBRefSource.PDB + "|" + id + "|" + pdbcs.getName()); // Might need to add more metadata to the PDBEntry object // like below /* * PDBEntry entry = new PDBEntry(); // Construct the PDBEntry * entry.setId(id); if (entry.getProperty() == null) * entry.setProperty(new Hashtable()); * entry.getProperty().put("chains", pdbchain.id + "=" + * sq.getStart() + "-" + sq.getEnd()); * sq.getDatasetSequence().addPDBId(entry); */ // Add PDB DB Refs // We make a DBRefEtntry because we have obtained the PDB file from // a // verifiable source // JBPNote - PDB DBRefEntry should also carry the chain and mapping // information DBRefEntry dbentry = new DBRefEntry(getDbSource(), getDbVersion(), (chid == null ? id : id + chid)); // dbentry.setMap() pdbcs.addDBRef(dbentry); } else { // mark this sequence to be removed from the alignment // - since it's not from the right chain toremove.add(pdbcs); } } // now remove marked sequences for (SequenceI pdbcs:toremove) { pdbfile.deleteSequence(pdbcs); } } if (pdbfile == null || pdbfile.getHeight() < 1) { throw new Exception("No PDB Records for " + id + " chain " + ((chain == null) ? "' '" : chain)); } } catch (Exception ex) // Problem parsing PDB file { stopQuery(); throw (ex); } return pdbfile; } /* * (non-Javadoc) * * @see jalview.ws.DbSourceProxy#isValidReference(java.lang.String) */ public boolean isValidReference(String accession) { Regex r = getAccessionValidator(); return r.search(accession.trim()); } /** * obtain human glyoxalase chain A sequence */ public String getTestQuery() { return "1QIPA"; } public String getDbName() { return "PDB"; // getDbSource(); } @Override public int getTier() { return 0; } }