On 12/9/23 1:40 AM, yann.sterckx--- via IMP-users wrote:
> We were wondering whether IMP is suited to calculate the
> conformational ensemble using all three data sources (SAXS, CD
> spectroscopy, CCS by ion mobility MS) as input restraints?
There is no specific support for CD or CCS, so you would certainly not
just be able to give IMP your data straight from the instrument. But if
you can think of a way to represent your experimental data as spatial
restraints, you can add them to the IMP scoring function.
Ben
--
https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle