Re: [IMP-users] SOAP_SCORE

[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