2 * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8)
3 * Copyright (C) 2012 J Procter, AM Waterhouse, LM Lui, J Engelhardt, G Barton, M Clamp, S Searle
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 of the License, or (at your option) any later version.
11 * Jalview is distributed in the hope that it will be useful, but
12 * WITHOUT ANY WARRANTY; without even the implied warranty
13 * of MERCHANTABILITY or FITNESS FOR A PARTICULAR
14 * PURPOSE. See the GNU General Public License for more details.
16 * You should have received a copy of the GNU General Public License along with Jalview. If not, see <http://www.gnu.org/licenses/>.
18 package jalview.ws.dbsources;
20 import jalview.datamodel.Alignment;
21 import jalview.datamodel.DBRefEntry;
22 import jalview.datamodel.DBRefSource;
23 import jalview.datamodel.SequenceI;
25 import java.io.BufferedInputStream;
26 import java.io.InputStream;
27 import java.io.InputStreamReader;
28 import java.util.Hashtable;
29 import java.util.Vector;
31 import MCview.PDBChain;
32 import MCview.PDBfile;
34 import com.stevesoft.pat.Regex;
36 import jalview.datamodel.AlignmentI;
37 import jalview.io.FileParse;
38 import jalview.ws.ebi.EBIFetchClient;
39 import jalview.ws.seqfetcher.DbSourceProxy;
40 import jalview.ws.seqfetcher.DbSourceProxyImpl;
46 public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
51 addDbSourceProperty(DBRefSource.PROTSEQDB);
57 * @see jalview.ws.DbSourceProxy#getAccessionSeparator()
59 public String getAccessionSeparator()
61 // TODO Auto-generated method stub
68 * @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()
80 public String getDbSource()
82 return DBRefSource.PDB;
88 * @see jalview.ws.DbSourceProxy#getDbVersion()
90 public String getDbVersion()
98 * @see jalview.ws.DbSourceProxy#getSequenceRecords(java.lang.String[])
100 public AlignmentI getSequenceRecords(String queries) throws Exception
103 Vector result = new Vector();
106 if (queries.indexOf(":") > -1)
108 chain = queries.substring(queries.indexOf(":") + 1);
109 id = queries.substring(0, queries.indexOf(":"));
115 if (queries.length() > 4 && chain == null)
117 chain = queries.substring(4, 5);
118 id = queries.substring(0, 4);
120 if (!isValidReference(id))
122 System.err.println("Ignoring invalid pdb query: '" + id + "'");
126 EBIFetchClient ebi = new EBIFetchClient();
127 file = ebi.fetchDataAsFile("pdb:" + id, "pdb", "raw").getAbsolutePath();
136 PDBfile pdbfile = new PDBfile(file,
137 jalview.io.AppletFormatAdapter.FILE);
138 for (int i = 0; i < pdbfile.chains.size(); i++)
141 || ((PDBChain) pdbfile.chains.elementAt(i)).id
142 .toUpperCase().equals(chain))
144 PDBChain pdbchain = (PDBChain) pdbfile.chains.elementAt(i);
145 // Get the Chain's Sequence - who's dataset includes any special
146 // features added from the PDB file
147 SequenceI sq = pdbchain.sequence;
148 // Specially formatted name for the PDB chain sequences retrieved from
150 sq.setName(jalview.datamodel.DBRefSource.PDB + "|" + id + "|"
152 // Might need to add more metadata to the PDBEntry object
155 * PDBEntry entry = new PDBEntry(); // Construct the PDBEntry
156 * entry.setId(id); if (entry.getProperty() == null)
157 * entry.setProperty(new Hashtable());
158 * entry.getProperty().put("chains", pdbchain.id + "=" + sq.getStart()
159 * + "-" + sq.getEnd()); sq.getDatasetSequence().addPDBId(entry);
162 // We make a DBRefEtntry because we have obtained the PDB file from a
164 // JBPNote - PDB DBRefEntry should also carry the chain and mapping
166 DBRefEntry dbentry = new DBRefEntry(getDbSource(),
167 getDbVersion(), id + pdbchain.id);
168 sq.addDBRef(dbentry);
169 // and add seuqence to the retrieved set
170 result.addElement(sq.deriveSequence());
174 if (result.size() < 1)
176 throw new Exception("No PDB Records for " + id + " chain "
177 + ((chain == null) ? "' '" : chain));
179 } catch (Exception ex) // Problem parsing PDB file
185 SequenceI[] results = new SequenceI[result.size()];
186 for (int i = 0, j = result.size(); i < j; i++)
188 results[i] = (SequenceI) result.elementAt(i);
189 result.setElementAt(null, i);
191 return new Alignment(results);
197 * @see jalview.ws.DbSourceProxy#isValidReference(java.lang.String)
199 public boolean isValidReference(String accession)
201 Regex r = getAccessionValidator();
202 return r.search(accession.trim());
206 * obtain human glyoxalase chain A sequence
208 public String getTestQuery()
213 public String getDbName()
215 return "PDB"; // getDbSource();