I'm still having issues with taxol ligand (TA1), check out attached screenshot, despite using different methods (readyset, elbow,...etc) to generate the restraints and upgrading from v1.14 to v1.16. 

I would appreciate your prompt feedback with this!



On Mon, Jul 15, 2019 at 1:00 PM Pavel Afonine <pafonine@lbl.gov> wrote:
Hi Ahmad,
> I used elbow to generate restraints for taxol using chemical
> componenet and sdf file. I posted before to the list and Oleg was kind
> enough to provide restraints generated by readyset. No matter what
> restraints I use, the taxol is messed up!
>
> The other thing is, the refinement keeps breaking the peptide bond at
> a specific location! I would like to send some files to someone
> privately to investigate!

please send me files that show the issue:

- model before and after refinement, and tell what residue number in
what chain I need to look at;
- map file and ligand CIF.

Pavel