- Common ways to obtain PDBFileReader
private void myMethod () {}
Structure s1 = pdbr.getStructureById(pdb1); Structure s2 = pdbr.getStructureById(pdb2);
Structure s1 = pdbr.getStructureById(pdb1); Structure s2 = pdbr.getStructureById(pdb2);
protected Structure loadStructureFromPdbByPdbId(String pdbId) throws IOException, StructureException { logger.debug("Loading structure {} from PDB file {}.", pdbId, path); Structure s; flagLoading(pdbId); try { PDBFileReader reader = new PDBFileReader(path); reader.setFetchBehavior(fetchBehavior); reader.setObsoleteBehavior(obsoleteBehavior); reader.setFileParsingParameters(params); s = reader.getStructureById(pdbId.toLowerCase()); } finally { flagLoadingFinished(pdbId); } return s; }
Structure structure1 = reader.getStructureById(pdb);
Structure structure1 = reader.getStructureById(pdb);
Structure s1 = pdbr.getStructureById(pdb1); Structure s2 = pdbr.getStructureById(pdb2);
public static void main(String[] args){ try { PDBFileReader pdbr = new PDBFileReader(); pdbr.setPath("/tmp/"); String pdbCode = "5pti"; Structure struc = pdbr.getStructureById(pdbCode); BiojavaJmol jmolPanel = new BiojavaJmol(); jmolPanel.setStructure(struc); // send some RASMOL style commands to Jmol jmolPanel.evalString("select * ; color chain;"); jmolPanel.evalString("select *; spacefill off; wireframe off; backbone 0.4; "); jmolPanel.evalString("save STATE state_1"); } catch (Exception e){ e.printStackTrace(); } }