/** * Handler for * TITLE Record Format * <pre> COLUMNS DATA TYPE FIELD DEFINITION ---------------------------------------------------------------------------------- 1 - 6 Record name "TITLE " 9 - 10 Continuation continuation Allows concatenation of multiple records. 11 - 70 String title Title of the experiment. * </pre> * */ private void pdb_TITLE_Handler(String line) { String title; if ( line.length() > 79) title = line.substring(10,80).trim(); else title = line.substring(10,line.length()).trim(); String t = pdbHeader.getTitle(); if ( (t != null) && (! t.equals("")) ){ if (t.endsWith("-")) t += ""; // if last line ends with a hyphen then we don't add space else t += " "; } else t = ""; t += title; pdbHeader.setTitle(t); }
pdbHeader.setTitle(title); pdbHeader.setResolution(resolution); pdbHeader.setRfree(rFree);
@Override public void setStruct(Struct struct) { PDBHeader header = structure.getPDBHeader(); if ( header == null) header = new PDBHeader(); header.setTitle(struct.getTitle()); header.setIdCode(struct.getEntry_id()); //header.setDescription(struct.getPdbx_descriptor()); //header.setClassification(struct.getPdbx_descriptor()); //header.setDescription(struct.getPdbx_descriptor()); structure.setPDBHeader(header); structure.setPDBCode(struct.getEntry_id()); }
public static Structure toMultimodelStructure(MultipleAlignment multAln, List<Atom[]> transformedAtoms) throws StructureException { PDBHeader header = new PDBHeader(); String title = multAln.getEnsemble().getAlgorithmName() + " V." + multAln.getEnsemble().getVersion() + " : "; for (StructureIdentifier name : multAln.getEnsemble() .getStructureIdentifiers()) { title += name.getIdentifier() + " "; } Structure artificial = getAlignedStructure(transformedAtoms); artificial.setPDBHeader(header); header.setTitle(title); return artificial; }
@Override protected void initCoords() { try { if (ca1 == null || ca2 == null) { if (structure != null) setStructure(structure); else { // System.err.println("could not find anything to // display!"); return; } } Structure artificial = AlignmentTools.getAlignedStructure(ca1, ca2); PDBHeader header = new PDBHeader(); String title = afpChain.getAlgorithmName() + " V." + afpChain.getVersion() + " : " + afpChain.getName1() + " vs. " + afpChain.getName2(); header.setTitle(title); artificial.setPDBHeader(header); setStructure(artificial); } catch (StructureException e) { e.printStackTrace(); } }