2 * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
3 * Copyright (C) $$Year-Rel$$ 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.AlignmentAnnotation;
24 import jalview.datamodel.AlignmentI;
25 import jalview.datamodel.DBRefEntry;
26 import jalview.datamodel.DBRefSource;
27 import jalview.datamodel.PDBEntry;
28 import jalview.datamodel.SequenceI;
29 import jalview.io.FormatAdapter;
30 import jalview.util.MessageManager;
31 import jalview.ws.ebi.EBIFetchClient;
33 import java.util.ArrayList;
34 import java.util.List;
35 import java.util.Vector;
37 import com.stevesoft.pat.Regex;
43 public class Pdb extends EbiFileRetrievedProxy
50 private static String currentDefaultFomart = DBRefSource.MMCIF;
55 * @see jalview.ws.DbSourceProxy#getAccessionSeparator()
58 public String getAccessionSeparator()
60 // TODO Auto-generated method stub
67 * @see jalview.ws.DbSourceProxy#getAccessionValidator()
70 public Regex getAccessionValidator()
72 return new Regex("([1-9][0-9A-Za-z]{3}):?([ _A-Za-z0-9]?)");
78 * @see jalview.ws.DbSourceProxy#getDbSource()
81 public String getDbSource()
83 return DBRefSource.PDB;
89 * @see jalview.ws.DbSourceProxy#getDbVersion()
92 public String getDbVersion()
100 * @see jalview.ws.DbSourceProxy#getSequenceRecords(java.lang.String[])
103 public AlignmentI getSequenceRecords(String queries) throws Exception
105 AlignmentI pdbAlignment = null;
106 Vector result = new Vector();
109 if (queries.indexOf(":") > -1)
111 chain = queries.substring(queries.indexOf(":") + 1);
112 id = queries.substring(0, queries.indexOf(":"));
118 if (queries.length() > 4 && chain == null)
120 chain = queries.substring(4, 5);
121 id = queries.substring(0, 4);
123 if (!isValidReference(id))
125 System.err.println("Ignoring invalid pdb query: '" + id + "'");
129 String ext = getCurrentDefaultFomart().equalsIgnoreCase("mmcif") ? ".cif"
131 EBIFetchClient ebi = new EBIFetchClient();
132 file = ebi.fetchDataAsFile("pdb:" + id,
133 getCurrentDefaultFomart().toLowerCase(), "raw", ext)
143 pdbAlignment = new FormatAdapter().readFile(file,
144 jalview.io.AppletFormatAdapter.FILE,
145 getCurrentDefaultFomart());
146 if (pdbAlignment != null)
148 List<SequenceI> toremove = new ArrayList<SequenceI>();
149 for (SequenceI pdbcs : pdbAlignment.getSequences())
153 for (PDBEntry pid : pdbcs.getAllPDBEntries())
155 if (pid.getFile() == file)
157 chid = pid.getChainCode();
164 || (chid != null && (chid.equals(chain)
165 || chid.trim().equals(chain.trim()) || (chain
166 .trim().length() == 0 && chid.equals("_")))))
168 pdbcs.setName(jalview.datamodel.DBRefSource.PDB + "|" + id
169 + "|" + pdbcs.getName());
170 // Might need to add more metadata to the PDBEntry object
173 * PDBEntry entry = new PDBEntry(); // Construct the PDBEntry
174 * entry.setId(id); if (entry.getProperty() == null)
175 * entry.setProperty(new Hashtable());
176 * entry.getProperty().put("chains", pdbchain.id + "=" +
177 * sq.getStart() + "-" + sq.getEnd());
178 * sq.getDatasetSequence().addPDBId(entry);
181 // We make a DBRefEtntry because we have obtained the PDB file from
184 // JBPNote - PDB DBRefEntry should also carry the chain and mapping
186 DBRefEntry dbentry = new DBRefEntry(getDbSource(),
187 getDbVersion(), (chid == null ? id : id + chid));
189 pdbcs.addDBRef(dbentry);
193 // mark this sequence to be removed from the alignment
194 // - since it's not from the right chain
198 // now remove marked sequences
199 for (SequenceI pdbcs : toremove)
201 pdbAlignment.deleteSequence(pdbcs);
202 if (pdbcs.getAnnotation() != null)
204 for (AlignmentAnnotation aa : pdbcs.getAnnotation())
206 pdbAlignment.deleteAnnotation(aa);
212 if (pdbAlignment == null || pdbAlignment.getHeight() < 1)
214 throw new Exception(MessageManager.formatMessage(
215 "exception.no_pdb_records_for_chain", new String[] { id,
216 ((chain == null) ? "' '" : chain) }));
219 } catch (Exception ex) // Problem parsing PDB file
230 * @see jalview.ws.DbSourceProxy#isValidReference(java.lang.String)
233 public boolean isValidReference(String accession)
235 Regex r = getAccessionValidator();
236 return r.search(accession.trim());
240 * obtain human glyoxalase chain A sequence
243 public String getTestQuery()
249 public String getDbName()
251 return "PDB"; // getDbSource();
260 public static String getCurrentDefaultFomart()
262 return currentDefaultFomart;
265 public static void setCurrentDefaultFomart(String currentDefaultFomart)
267 Pdb.currentDefaultFomart = currentDefaultFomart;