Hi everyone,
We just realized in the lab that the dimethyl-lysine in the ccp4 monomer
database (MLY) has planar tertiary amines, instead of trigonal pyramid
with ~109ยบ degree angles (which we have fixed for our purposes). Is
there a place to report such matters to, or is this a good enough place
for that? Actually the cif file has only a minimal (and inaccurate)
description, and libcheck/refmac generates a planar amine with that.
Are these minimal descriptions in the monomer library what was intended
for users to build upon, or are they more final, authoritative files?
Thanks,
Engin
