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 configuration to L. Had anyone encountered
similar kind of problem while working with JLigand and how can I tackle
this issue?
I am using JLigand since I have to define a covalent link between
the ligand and the mocromolecule later during the refinement. Is there
any other program other than Jligand (or Prodrg server) which I can use
for generating the cif file and defining the link?
Thanks,
Vineet Gaur
