[IMP-users] Re: How to use zip PDBs with IMP-FOXS (such as with the online version of FOXS)

[Ben Webb <>]

On 1/19/23 2:30 PM, sammahdi1994--- via IMP-users wrote:
> 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.

That's not an error, it's a warning. It says so in capitals ;)

> So it's able to read it, but I get a warning saying it can't?

It's able to read file.pdb as PDB, but it cannot read saxs_data.dat as 
PDB - that's the file it is warning about. This is fine because it will 
just go and assume it's a profile instead (which it is).

> 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).

No, FoXS always generates these .dat files.

	Ben
-- 
                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle