I appreciate the input Paul and Nigel. The cif dictionary file you sent me
doesn't have matching restraint definitions for 53 atoms in the ACD file. I
opened the cif file you sent and extracted the SMILES code for ACD. Then I ran
it in phenix.elbow to have it generate a pdb of the ACD. Then i wo
I have arachidonic acid soaked into my crystal structure and want to model it.
The phenix.refine is allowing my cis double bonds to distort to a gauche or
trans form. Is it the cif file or the refinement restraints in the program that
I need to correct.
