XML filename shouldn't be report.xml

[pslacerda]

The bug
Other files has the PDB id prefixing the filename like 2v2x_protonated.pdb or 3gjf.pdb but the XML report is named report.xml. It is annoying because overwrites previous runs.

Expected behavior
An unique filename prefixed with the PDB id like 3gsu_report.xml.

[juliaLopanskaia]

If you use -o name_of_job it will create a folder and put report there

[ShutaoChen97]

Maybe you can try to change the file name after running the docker command.

For example,

$ docker run --rm \
    -v ${PWD}:/results \
    -w /results \
    -u $(id -u ${USER}):$(id -g ${USER}) \
    pharmai/plip:latest -i 3gsu -vx \
    && mv report.xml 3gsu_report.xml