On 12/10/18 11:58, Heng-Keat Tam wrote: > > I am wondering what's wrong with the real space refine zone for prolines in > Coot (7658)? There are some problem with my machine (Ubuntu 18.04), when I > refine (real space refine zone) proline. Even though the proline fits into > the density, sometimes the proline flips out of the density during refinement > or bad refinement (bad bonds, bad angles, etc). The worse case is there is > broken link between two prolines (as shown in the figure in dropbox). > > https://www.dropbox.com/sh/vbzj17360nlbjhf/AADJorLpu3sGdkSoIoQq4kAsa?dl=0 >
Thanks - I think that this is because you are using Coot with the new CCP4 monomer library - certain aspects of the peptide restraints has changed. Alternatively: I have had a problem with my integration machine recently as you may have noticed - it is on its feet again and I will encourage it to make an update in the next few days (and that should incorporate the new dictionary parsing). Regards, Paul. ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1
