Hi,
I've recently made a ligand using the Sketcher module in CCP4i and made the cif
dictionary. I can run Refmac5 in "review restraints" mode with the dictionary
in my working directory and it seems to work fine.
However, now I am trying to refine my ligand in the protein structure and I get
the error message "New ligand has been encountered. Stopping now," even though
I've already made the dictionary and have it selected in the "Library" blank.
In the past I added the keyword "Make Check None" to my script file to get
things working. I've become found of the GUI-- is there a special trick for
getting the GUI to use my dictionary?
Thanks for your help!
Catherine Regni, Ph.D.
---------------------------------
Never miss a thing. Make Yahoo your homepage.
