On 19/12/2017 14:10, YUVARAJ I wrote:
Dear All,
how to built a new ligand and refine the pdb, since the refmac is failed with
the following message
/Refmac died because it encountered a ligand not present in the monomer libraries it has read (i.e. the
default CCP4 libraries plus any library you provided through the GUI). To continue, you have a number of
options./
/
/
I would be very much grateful, if you could send me the protocol links to built and add a new ligand in the
library.
One doesn't add a new ligand to the library. One uses a dictionary generator (as it seems that you know
because you have added a ligand to your model) and the cif output of that is added as "LIB in" in the GUI.
The model atoms and residue name must match those in the dictionary, needless to say.
Regards,
Paul.
