On 28/09/16 10:51, Matzov Donna wrote:
Hello,
Hello Donna,
For RNA modelling I used to have a "user-defined-restraints.scm"
script which allowed me to maintain proper base-paring geometry while
I did real-space refinement and regularization.
Unfortunately, my script doesn't seem to work on new coot versions; as
I'm running the script the restrains tab opens, I'm able to select to
nucleotides but then the real-space refine doesn't maintain proper
base-pairing geometry (the latest coot version that it worked in was 0.7).
I suspect that this is related to the unannounced change in the output
format of libg.
Do you have an updated script for the newer versions of coot or can
you command me another options for RNA helix refinement?
It might be possible to adjust the input file but I'm a bit in the dark
at the moment about where the problem lies. I'll try with the latest
update from CCP4 and see if I suffer the same pain. If so, I can fix it
and have it in Coot-0.8.8 (out "soon" - but probably not soon enough for
your liking).
Paul.
