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