On 05/12/2019 17:55, Xuewu Zhang wrote: > > The new version of Coot bundled with CCPEM seems behave differently > for refinement near a gap.
Yes. > In the past, if there is a gap, for example, a few residues missing > between two beta-strands, refinement of one strand is independent from > the other strand, as it is supposed to. However, in the new version, > if the distance between the last residue of the first segment and the > first residue of the second segment is small, refinement of one > segment leads to "stretching" of the residue near the gap, as Coot > tries to make a covalent linkage between the two segments, even though > there is a gap and the residue numbers are not contiguous. Is there a > way to change this back to the previous setting? > I think I understand what you are describing - if the stretch is make to a non-moving residue in refinement. That was fixed here: commit c9f19a5b9b57a97c130907fa7b00ed6d9284615d Author: Paul Emsley <[email protected]> Date: Tue Dec 3 16:19:57 2019 +0000 If you mean a stretch is made between two moving residues, then that is a problem that I don't recognise (and according to my reading of the code, shouldn't happen). So, there is no setting - Coot should just do the right thing with gaps. Paul. ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1
