Dear Ben,
thank you for your reply.
I’ll think of how we could represent the CD and CCS data as spatial restraints.
Best wishes,
Yann
> On 11 Dec 2023, at 21:28, Ben Webb <> wrote:
>
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> 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