Dear Oarabile,
You may try automated ligand fitting programme, in Coot-Calculate- Other
modelling tool- Find ligands.
There are also other Liand fit programme in Phenix or ccp4.
Good luck!
Lu Zuokun
--
卢作焜
南开大学新生物站A202
At 2014-10-26 02:51:01, "Kgosisejo, Oarabile" <o.kgosis...@usask.ca> wrote:
Hello all,
I am trying to fit cacodylate ion in my model using Coot but it does not stay
where I put it. The molecule breaks apart and some of its components attach to
the peptide residues. Due to this, phenix.refine would not accept this as the
input for refinement. Is there a way I can make cacodylate ion stay in its
electron density and refine my structure with cacodylate ion?
I appreciate your help!
Best Regards,
Oarabile M. Kgosisejo
o.kgosis...@usask.ca
