Hi Vineet,
I did not used JLIGAND so far, so I cannot explain what happend, but maybe the
quickest solution would be a manual intervention in the cif-files. Type at at
the chirality remark "positiv or negativ" or whatever nomenclature is used and
save it again. I do it sometimes for my ligands
Dear all,
I am trying to generate a cif file for a new ligand (a sugar derivative)
using "JLigand". The ligand needs to be in D- configuration. However, after
I input the coordinates for this ligand into J ligand and carry out geometry
regularisation, the program automatically converts D configura
Dear all,
I am trying to generate a cif file for a new ligand (a sugar derivative)
using "JLigand". The ligand needs to be in D- configuration. However, after
I input the coordinates for this ligand into J ligand and carry out geometry
regularisation, the program automatically converts D configurat
