Hi Ben,
Thanks for the replay. I am newie to modeller. Do you have an example where soap_pp.Assessor class is used? (or where I can find it)
Thanks a lot for your help.
Pablo
2017-09-06 19:42 GMT+02:00 Ben Webb ben@salilab.org:
> On 8/28/17 7:46 AM, Pablo Chacon wrote: > >> I am trying to use the soap_score utility to compute the orientational >> soap protein-protein (pp) score for a set of pp decoys, but I was unable to >> find a compatible hdf5 file for pp. >> Is there any way to use the tool for pp? >> > > SOAP-PP is not orientation dependent. Its formulation is a little > different to the other SOAP potentials (it includes a pairwise term and > also an atomistic term) so I'm relatively confident that IMP's soap_score > utility won't work with it. There is support in Modeller for SOAP-PP > scoring though, and the HDF5 files for SOAP-PP are included in the Modeller > distribution. I've updated https://salilab.org/SOAP/ with this > information. > > Ben > -- > ben@salilab.org https://salilab.org/~ben/ > "It is a capital mistake to theorize before one has data." > - Sir Arthur Conan Doyle > _______________________________________________ > IMP-users mailing list > IMP-users@salilab.org > https://salilab.org/mailman/listinfo/imp-users >