private void printTitle(StringBuffer buf) { // 1 2 3 4 5 6 7 //01234567890123456789012345678901234567890123456789012345678901234567890123456789 //HEADER COMPLEX (SERINE PROTEASE/INHIBITORS) 06-FEB-98 1A4W //TITLE CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING //TITLE 2 INHIBITORS: PROBES OF THE S1' BINDING SITE String title = getTitle(); if ( (title == null) || (title.trim().isEmpty()) ) return; printMultiLine(buf, "TITLE ", title,' '); }
/** * 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); }
@Override protected void initCoords() { try { if (multAln == null) { if (structure != null) setStructure(structure); else { logger.error("Could not find anything to display!"); return; } } Structure artificial = MultipleAlignmentTools.toMultimodelStructure(multAln, transformedAtoms); setStructure(artificial); logger.info(artificial.getPDBHeader().getTitle()); } catch (StructureException e) { e.printStackTrace(); } }
/** * Display a MultipleAlignment with a JmolPanel. * New structures are downloaded if they were * not cached in the alignment and they are entirely * transformed here with the superposition information * in the Multiple Alignment. * * @param multAln * @return MultipleAlignmentJmol instance * @throws StructureException */ public static MultipleAlignmentJmol display(MultipleAlignment multAln) throws StructureException { List<Atom[]> rotatedAtoms = MultipleAlignmentDisplay.getRotatedAtoms(multAln); MultipleAlignmentJmol jmol = new MultipleAlignmentJmol(multAln, rotatedAtoms); jmol.setTitle(jmol.getStructure().getPDBHeader().getTitle()); return jmol; }
jmol.setTitle(jmol.getStructure().getPDBHeader().getTitle()); addSymmetryMenu(jmol, symmResult); jmol.evalString(printSymmetryGroup(symmResult));
mmtfDecoderInterface.setHeaderInfo(pdbHeader.getRfree(), pdbHeader.getRwork(), pdbHeader.getResolution(), pdbHeader.getTitle(), MmtfUtils.dateToIsoString(pdbHeader.getDepDate()), MmtfUtils.dateToIsoString(pdbHeader.getRelDate()), MmtfUtils.techniquesToStringArray(pdbHeader.getExperimentalTechniques())); mmtfDecoderInterface.setXtalInfo(MmtfUtils.getSpaceGroupAsString(xtalInfo.getSpaceGroup()), MmtfUtils.getUnitCellAsArray(xtalInfo), MmtfUtils.getNcsAsArray(xtalInfo.getNcsOperators()));