Hi Learned Friends,
I'm trying to refine a structure that has a very similar staple to the one in
8GJS. In that structure, there's a double bond between residue 5 and 12 in
chain B. I've tried to define a link using jligand and I get a cif that looks
like it would define the double bond.
Message was attached instead of in the body for some reason. Here it is"
Hi Learned Friends,
I'm trying to refine a structure that has a very similar staple to the one in
8GJS. In that structure, there's a double bond between residue 5 and 12 in
chain B. I've tried to define a link using
Hi Joel,
That's a great idea! I've considerd it, and technically it would work as you
suggest to refine correctly. However, that would look like more carbons come
from one of the two precursor molecules than the other, which chemically would
be wrong. I really want to avoid giving the
Hi David Briggs,
Thank you for the suggestion of AceDrg. I gave it a try, using the Coot way
and the Jligand way for AceDrg. For some reason the Coot method didn't make a
cif, only jligand did. But the cif didn't have any effect on refinement. What
did work for Phenix was to define the
Hi Friends,
I have sucessfully used preference files for WinCoot for that last 8 years
across 3 laptops, but with this new laptop it's not working. It looks like the
files are read, but I don't see the output in the terminal to indicate that it
has any effect. And the preferences are not
