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.



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.

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