I need to model in tetrachloroaurate molecules into a structure, from our heavy atom soak of Potassium tetrachloroaurate.
I created a pdb file by using chemdraw and exporting as an *.sdf and opening in pymol and saving as a *.pdb (attached) I let refmac create a library file (also attached) that coot does not recognize. Also, coot does not draw bonds between the atoms. Also, refmac, even with its own library file, moves the Cl atoms too close and too far from the Au atom. It should be a planar molecule. Is there a better way to create a refmac *.cif file? The dunded prodrg server cannot handle Au atoms. I chose TCU as the monomer name as it does not occur in the refmac monomer libararies. Thanks
TCU.pdb
Description: Protein Databank data
TCU.cif
Description: Binary data
