15 Jul
2019
15 Jul
'19
4:59 p.m.
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