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 ben@salilab.org wrote: > > CAUTION: This email originated from outside of the organization. Do not click links or open attachments unless you recognize the sender and know the content is safe. > > > 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 > -- > ben@salilab.org https://salilab.org/~ben/ > "It is a capital mistake to theorize before one has data." > - Sir Arthur Conan Doyle