[phenixbb] Real space refinment keeps messing up my taxol conformation

Ahmad Khalifa underoath006 at gmail.com
Mon Jul 15 07:15:59 PDT 2019


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 let me know.

Regards.
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