seqresG.setResidueNumber(null);
/** * Auxiliary method to reset chain ids of residue numbers in a chain. * Used when cloning chains and resetting their ids: one needs to take care of * resetting the ids within residue numbers too. * @param c * @param newChainName */ private static void setChainIdsInResidueNumbers(Chain c, String newChainName) { for (Group g:c.getAtomGroups()) { g.setResidueNumber(newChainName, g.getResidueNumber().getSeqNum(), g.getResidueNumber().getInsCode()); } for (Group g:c.getSeqResGroups()) { if (g.getResidueNumber()==null) continue; g.setResidueNumber(newChainName, g.getResidueNumber().getSeqNum(), g.getResidueNumber().getInsCode()); } }
altLocG.setResidueNumber(currentGroup.getResidueNumber()); currentGroup.addAltLoc(altLocG); return altLocG;
altLocG.setResidueNumber(currentGroup.getResidueNumber()); currentGroup.addAltLoc(altLocG); return altLocG;
currentGroup.setResidueNumber(residueNumber); currentGroup.setHetAtomInFile(isHetAtomInFile); currentGroup.setResidueNumber(residueNumber); currentGroup.setHetAtomInFile(isHetAtomInFile);
public static void main(String[] args){ Chain c = new ChainImpl(); c.setId("X"); Group g = new AminoAcidImpl(); g.setResidueNumber(ResidueNumber.fromString("1A")); try { g.setPDBName("ALA"); } catch (Exception e){} Atom a = new AtomImpl(); a.setName("CA"); g.addAtom(a); c.addGroup(g); System.out.println(getPdbInfo(a)); }
group.setPDBName(groupName); if (insertionCode == MmtfStructure.UNAVAILABLE_CHAR_VALUE) { group.setResidueNumber(chain.getName().trim(), groupNumber, null); } else { group.setResidueNumber(chain.getName().trim(), groupNumber, insertionCode);
currentGroup.setResidueNumber(residueNumber); currentGroup.setPDBName(groupCode3); currentGroup.setHetAtomInFile(isHetAtomInFile); currentGroup.setResidueNumber(residueNumber); currentGroup.setPDBName(groupCode3); currentGroup.setHetAtomInFile(isHetAtomInFile); currentGroup = getNewGroup(recordName,aminoCode1,seq_id,groupCode3); currentGroup.setPDBName(groupCode3); currentGroup.setResidueNumber(residueNumber); currentGroup.setHetAtomInFile(isHetAtomInFile);
g.setResidueNumber(ResidueNumber.fromString(epolseq.getNum()));