2 * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
3 * Copyright (C) 2014 The Jalview Authors
5 * This file is part of Jalview.
7 * Jalview is free software: you can redistribute it and/or
8 * modify it under the terms of the GNU General Public License
9 * as published by the Free Software Foundation, either version 3
10 * of the License, or (at your option) any later version.
12 * Jalview is distributed in the hope that it will be useful, but
13 * WITHOUT ANY WARRANTY; without even the implied warranty
14 * of MERCHANTABILITY or FITNESS FOR A PARTICULAR
15 * PURPOSE. See the GNU General Public License for more details.
17 * You should have received a copy of the GNU General Public License
18 * along with Jalview. If not, see <http://www.gnu.org/licenses/>.
19 * The Jalview Authors are detailed in the 'AUTHORS' file.
21 package jalview.ws.dbsources;
23 import jalview.datamodel.Alignment;
24 import jalview.datamodel.DBRefEntry;
25 import jalview.datamodel.DBRefSource;
26 import jalview.datamodel.PDBEntry;
27 import jalview.datamodel.SequenceI;
29 import java.util.ArrayList;
30 import java.util.List;
31 import java.util.Vector;
33 import MCview.PDBChain;
34 import MCview.PDBfile;
36 import com.stevesoft.pat.Regex;
38 import jalview.datamodel.AlignmentI;
39 import jalview.io.FormatAdapter;
40 import jalview.util.MessageManager;
41 import jalview.ws.ebi.EBIFetchClient;
42 import jalview.ws.seqfetcher.DbSourceProxy;
48 public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
53 addDbSourceProperty(DBRefSource.PROTSEQDB);
59 * @see jalview.ws.DbSourceProxy#getAccessionSeparator()
61 public String getAccessionSeparator()
63 // TODO Auto-generated method stub
70 * @see jalview.ws.DbSourceProxy#getAccessionValidator()
72 public Regex getAccessionValidator()
74 return new Regex("([1-9][0-9A-Za-z]{3}):?([ _A-Za-z0-9]?)");
80 * @see jalview.ws.DbSourceProxy#getDbSource()
82 public String getDbSource()
84 return DBRefSource.PDB;
90 * @see jalview.ws.DbSourceProxy#getDbVersion()
92 public String getDbVersion()
100 * @see jalview.ws.DbSourceProxy#getSequenceRecords(java.lang.String[])
102 public AlignmentI getSequenceRecords(String queries) throws Exception
104 AlignmentI pdbfile = null;
105 Vector result = new Vector();
108 if (queries.indexOf(":") > -1)
110 chain = queries.substring(queries.indexOf(":") + 1);
111 id = queries.substring(0, queries.indexOf(":"));
117 if (queries.length() > 4 && chain == null)
119 chain = queries.substring(4, 5);
120 id = queries.substring(0, 4);
122 if (!isValidReference(id))
124 System.err.println("Ignoring invalid pdb query: '" + id + "'");
128 EBIFetchClient ebi = new EBIFetchClient();
129 file = ebi.fetchDataAsFile("pdb:" + id, "pdb", "raw").getAbsolutePath();
138 pdbfile = new FormatAdapter().readFile(file,
139 jalview.io.AppletFormatAdapter.FILE, "PDB");
142 List<SequenceI> toremove = new ArrayList<SequenceI>();
143 for (SequenceI pdbcs : pdbfile.getSequences())
147 for (PDBEntry pid : (Vector<PDBEntry>) pdbcs.getPDBId())
149 if (pid.getFile() == file)
151 chid = (String) pid.getProperty().get("CHAIN");
158 || (chid != null && (chid.equals(chain)
159 || chid.trim().equals(chain.trim()) || (chain
160 .trim().length() == 0 && chid.equals("_")))))
162 pdbcs.setName(jalview.datamodel.DBRefSource.PDB + "|" + id
163 + "|" + pdbcs.getName());
164 // Might need to add more metadata to the PDBEntry object
167 * PDBEntry entry = new PDBEntry(); // Construct the PDBEntry
168 * entry.setId(id); if (entry.getProperty() == null)
169 * entry.setProperty(new Hashtable());
170 * entry.getProperty().put("chains", pdbchain.id + "=" +
171 * sq.getStart() + "-" + sq.getEnd());
172 * sq.getDatasetSequence().addPDBId(entry);
175 // We make a DBRefEtntry because we have obtained the PDB file from
178 // JBPNote - PDB DBRefEntry should also carry the chain and mapping
180 DBRefEntry dbentry = new DBRefEntry(getDbSource(),
181 getDbVersion(), (chid == null ? id : id + chid));
183 pdbcs.addDBRef(dbentry);
187 // mark this sequence to be removed from the alignment
188 // - since it's not from the right chain
192 // now remove marked sequences
193 for (SequenceI pdbcs : toremove)
195 pdbfile.deleteSequence(pdbcs);
199 if (pdbfile == null || pdbfile.getHeight() < 1)
201 throw new Exception(MessageManager.formatMessage("exception.no_pdb_records_for_chain", new String[]{id, ((chain == null) ? "' '" : chain)}));
204 } catch (Exception ex) // Problem parsing PDB file
215 * @see jalview.ws.DbSourceProxy#isValidReference(java.lang.String)
217 public boolean isValidReference(String accession)
219 Regex r = getAccessionValidator();
220 return r.search(accession.trim());
224 * obtain human glyoxalase chain A sequence
226 public String getTestQuery()
231 public String getDbName()
233 return "PDB"; // getDbSource();