On 1/19/23 11:06 AM, sammahdi1994--- via IMP-users wrote: > I am attempting to run FOXS with 200+ PDBs. For this purpose I have > downloaded IMP since the online version of FOXS can only use 100PDBs. > However, I don't see an option in the tutorial or the help command for > uploading a zip containing multiple PDBs.

It's a command line tool - there's no reason for it to handle zip files since you can already do that (with other command line tools). FoXS can handle any number of PDBs and/or profiles on the command line, so just unzip your file first and then give FoXS as many of the PDBs as you want.

Ben

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