public static String toMMCIF(Chain chain, String authId, String asymId, boolean writeHeader) { StringBuilder str = new StringBuilder(); if (writeHeader) str.append(getAtomSiteHeader()); List<AtomSite> list = MMCIFFileTools.convertChainToAtomSites(chain, 1, authId, asymId); str.append(MMCIFFileTools.toMMCIF(list,AtomSite.class)); return str.toString(); }
sb.append(FileConvert.getAtomSiteHeader());
public String toMMCIF() { StringBuilder str = new StringBuilder(); str.append(SimpleMMcifParser.MMCIF_TOP_HEADER+"BioJava_mmCIF_file"+newline); if (structure.getPDBHeader()!=null && structure.getPDBHeader().getCrystallographicInfo()!=null && structure.getPDBHeader().getCrystallographicInfo().getSpaceGroup()!=null && structure.getPDBHeader().getCrystallographicInfo().getCrystalCell()!=null) { str.append(MMCIFFileTools.toMMCIF("_cell", MMCIFFileTools.convertCrystalCellToCell(structure.getPDBHeader().getCrystallographicInfo().getCrystalCell()))); str.append(MMCIFFileTools.toMMCIF("_symmetry", MMCIFFileTools.convertSpaceGroupToSymmetry(structure.getPDBHeader().getCrystallographicInfo().getSpaceGroup()))); } str.append(getAtomSiteHeader()); List<AtomSite> list = MMCIFFileTools.convertStructureToAtomSites(structure); str.append(MMCIFFileTools.toMMCIF(list,AtomSite.class)); return str.toString(); }