IMP-users January 2024

imp-users@salilab.org

3 participants
2 discussions

IMP 2.20.1 release
by Ben Webb 16 Jan '24

16 Jan '24

IMP 2.20.1 is now available. This is a minor bugfix release, introducing compatibility with Python 3.12 and SWIG 4.2, and fixing a crash in the soap_score tool when scoring multiple models with an orientation-dependent SOAP score. See https://integrativemodeling.org/2.20.1/doc/manual/changelog.html for the full change log. Check it out at https://integrativemodeling.org/ Ben -- ben(a)salilab.org https://salilab.org/~ben/ "It is a capital mistake to theorize before one has data." - Sir Arthur Conan Doyle

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crosslinkingMS database with custom ambiguity groups
by Andrea Graziadei 02 Jan '24

02 Jan '24

Hello, I have a crosslinking MS dataset beteween 3 proteins, A, B and C. B and C are different proteins that share 30% identical sequence in chunks. Thus, I have crosslinks from A to B that are unambiguous, and others that may be from A to B or from A to C, as they go to a shared sequence. For homodimers, IMP handles this automatically. How do I construct the crosslink database to specify ambiguity at the restraint level? is there a column I can add to the crosslink csv that has a a selection e.g. residue 5 of protein A is crosslinked to residue 17 of protein B or residue 29 of protein C? Many thanks, Andrea

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IMP-users January 2024