Dear CCP4 users,

I am working towards solving a protein-ligand complex structure. The ligand
is 5.2 kDa (495 atoms) and made of 3 distinctive repetitive monomers. I
have a PDB model for the ligand and also as smiles and mol2 format.
I tried generating restraint files for this ligand using Jligand, ProDRG,
AceDRG, Elbow (Phenix), and Gradeserver (Global phasing), but all failed to
generate the restraints. Perhaps it's too big of a molecule to handle for
restraint generation using these softwares. I checked the archived messages
on CCP4BB but could not find something helpful.

Could you advise me on how to prepare the restraints for such ligand to
proceed with the refinement?
I will happily provide more information if I am missing something here.

Kind regards,
Deepak

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