Map<Integer, BioAssemblyInfo> bioAssemblies = pdbHeader.getBioAssemblies();
if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies()==null) { logger.info("No bioassembly information found for {}, returning asymmetric unit as the only biological assembly", pdbId); assemblies.add(asymUnit); for (int bioAssemblyId : asymUnit.getPDBHeader().getBioAssemblies().keySet()) { List<BiologicalAssemblyTransformation> transformations = asymUnit.getPDBHeader().getBioAssemblies().get(bioAssemblyId).getTransforms();
if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies()==null) { logger.info("No bioassembly information found for {}, returning asymmetric unit as biological assembly", pdbId); return asymUnit; if (!asymUnit.getPDBHeader().getBioAssemblies().containsKey(bioAssemblyId)) { return asymUnit; asymUnit.getPDBHeader().getBioAssemblies().get(bioAssemblyId).getTransforms();
if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies()==null) { logger.info("No bioassembly information found for {}, returning asymmetric unit as biological assembly", pdbId); return asymUnit; if (!asymUnit.getPDBHeader().getBioAssemblies().containsKey(bioAssemblyId)) { throw new StructureException("No biological assembly available for biological assembly id " + bioAssemblyId + " of " + pdbId); asymUnit.getPDBHeader().getBioAssemblies().get(bioAssemblyId).getTransforms();
mmtfDecoderInterface.setXtalInfo(MmtfUtils.getSpaceGroupAsString(xtalInfo.getSpaceGroup()), MmtfUtils.getUnitCellAsArray(xtalInfo), MmtfUtils.getNcsAsArray(xtalInfo.getNcsOperators())); storeBioassemblyInformation(chainIdToIndexMap, pdbHeader.getBioAssemblies());