[IMP-users] Re: How to use zip PDBs with IMP-FOXS (such as with the online version of FOXS)
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Subject: [IMP-users] Re: How to use zip PDBs with IMP-FOXS (such as with the online version of FOXS)
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Date: Thu, 19 Jan 2023 22:30:14 +0000
Oh ok.
So I'm getting a strange error when I try to run FOXS.
>>>>>>foxs -h file.pdb saxs_data.dat
begin IMP::atom::`anonymous-namespace'::read_pdb:
WARNING Sorry, unable to read atoms from PDB file. Thanks for the effort.
end IMP::atom::`anonymous-namespace'::read_pdb
file.pdb 5864 atoms
file.pdb saxs_data.dat Chi^2 = 2107.33 c1 = 1.05 c2 = 4 default chi^2 = 4489.64
So it's able to read it, but I get a warning saying it can't? The output also generates 2 .dat outputs, and 1 .fit output, is there an option to exclude the generation of the 2 .dat and only generate the fit file (I only care for the fitted theoretical profile).