Just would love to know what else is out there in addition to ELBOW in Phenix?
Acedrg is the modern dictionary generator distributed by CCP4.
My utility is to generate the .pdb and .cif files from a SMILES string that would allow me to do compound fitting and real-space refinement in coot,
I recommend that you pick up 0.9-pre (at the moment) if you are going to do that. This will be folded into CCP4 soon (I believe).
and then reciprocal refinement elsewhere (assuming I won't have access to Phenix).
Refmac? Paul. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
