NOE script mode - unresolved spins

As the peaks of certain spins overlap to such an extent that the heights or volumes cannot be resolved, a simple text file was created called “unresolved” in which each line consists of the residue number followed by the atom name. By using the command

[firstnumber=30]
# Deselect unresolved spins.
deselect.read(name, file='unresolved', res_num_col=1, spin_name_col=2)

all spins in the file “unresolved” are excluded from the analysis.



The relax user manual (PDF), created 2020-08-26.