ACE NMR data?
- Hello everyone,
I'm rather new to using CNS yet I would like to use it to generate
structures from NMR restraint data.
My structure consists of a protein and a a peptide. At the n-terminal
part of the peptide there is an ACE.
I noticed that ACE is present in the CNS 1.21 topology files yet some
data seems to be missing related to the H-bonds to
generate an ensemble of structure using the NOE data. I also saw on
the CNS website that there
are some additional parameter files for capping yet they do not work
for my case either. I assume this information is for the
derivation of crystal structures only.
Can anyone tell me which data I need to include in CNS to derive the
structures or where I can find the files
to perform this work.