On 08/11/2019 19:51, Seth Harris wrote:
I'm sure this has been asked, but after some searching I can't find hints. Apologies if redundant, but can
someone refresh me on how to get Coot to be graceful about residues with insertion codes...particularly
during real space refinement. I have a protease structure with very good resolution/density but some odd
numbering conventions with insertion code (e.g. 124A, 124B, 124C between residues 124 and 125 numbering) in
other areas continuous residues have non-contiguous numbering. When doing real space refinement both
situations tend to blow apart, each individual insertion code-numbered residue becoming its own disconnected
amino acid and well out of the density,
Hi Seth,
The refinement module of 0.8.x dates back to 2004 when I didn't know much about
anything.
The refinement module of 0.9.x has undergone a significant overhaul. 0.9-pre works with insertion codes (in
my testing) and I am reluctant (to the point of it not happening) to try to tease out correct peptide
linking in the crufty 0.8.x version.
So, try 0.9-pre. My plan is to ramp up the build system on the VMs next week.
Or you can get it from CCPEM.
Regards,
Paul.
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