Dear relax users,
I am a new user of the relax and I don't have any background about python.
This software seems quite powerful but difficult for me to use. I have
collected the T1, T2 and NOE data. Before sending for modelfree
calculation, I want to select models residue per residue in order to
improve the fitting accuracy as mentioned in P. E. Wright's J.Biomol.NMR
paper in 2004 (model-free analysis of protein dynamics: assessment of
accuracy and model selection protocols based on molecular dynamics
simulation). So I go to the user manual and after several days I got to
know how to input the R1, R2 and NOE data (sorry for my slow learning).
When I start to do model-selection, the software needs me to provide
diffusion tensor but I don't know how to do this. I wonder whether any of
you have any protocol for easy usage of model selection. I'm sorry for my
silly question and I am looking forward to your reply.
Best,
Tom
Best,
Yitao
model selection