Dear Francesco,
Ambiguity due to multiple copies of the same molecule is automatically taken into account. The complement example use an obsolete interface, you should look into this tutorial:
https://github.com/salilab/imp_tutorial
cheers
Riccardo
Riccardo Pellarin, PhD =================== Institut Pasteur CNRS UMR 3528 25, rue du Docteur Roux 75724 Paris Cedex 15, France riccardo.pellarin@pasteur.fr +33 (0)1 44 38 93 63
On Tue, Oct 29, 2019 at 4:13 PM Francesco RAIMONDI < francesco.raimondi@sns.it> wrote:
> Dear all, > > I have a set of MS/XL restraints which I'd like to use to predict the > structure of a putative homodimeric protein. Some of the XL are expected to > happen within the same chain, others between the two distinct chains of the > homodimer. > The way I tackled the ambiguity issue so far is to explicitly generate all > the possible XL/chain combinations and use this expanded list as an input > for an adapted version of the human complement modeling script ( > https://salilab.org/Complement) using IMP v2.9. > Is there a better way to deal with ambiguity in IMP? I also found the > AmbiguousCompositeRestraint > https://integrativemodeling.org/2.6.1/doc/ref/classIMP_1_1pmi_1_1restraints_1_1proteomics_1_1AmbiguousCompositeRestraint.html > class, but didn't yet manage to find an example script using it. > I'd be grateful for any suggestions you could provide me in this respect. > > Thanks so much and all the best, > Francesco > _______________________________________________ > IMP-users mailing list > IMP-users@salilab.org > https://salilab.org/mailman/listinfo/imp-users >