Dear Dr Emsley
Many thanks for your reply.
I have now updated my Coot and am able to run refmac refinement using my
ligand PDB and CIF generated from elbow2 under Phenix.
This is indeed a lesson on the importance of keeping all softwares updated!
Kind regards
Sam
On 24 January 2017 at 18:29,
On 24/01/2017 08:04, Sam Tang wrote:
I am trying to fit a small molecule ligand into a protein complex using Coot.
The data was
processed to P212121, at 2.6 A. What I did was to input a SMILES string, fit
the ligand,
merge the ligand into the protein molecule using 'Merge Molecules' and save
Dear all
I am trying to fit a small molecule ligand into a protein complex using
Coot. The data was processed to P212121, at 2.6 A. What I did was to input
a SMILES string, fit the ligand, merge the ligand into the protein molecule
using 'Merge Molecules' and save coordinates.
After fitting the
