6 Sep
2017
6 Sep
'17
10:42 a.m.
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
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ben@salilab.org https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle