Dependency issues openbabel_filter/openbabel_filter ctb_filter

[jennaj]

Workaround for End Users
Consider an alternative tool: Drug-likeness quantitative estimation (QED) with RDKit
https://training.galaxyproject.org/training-material/by-tool/bgruening/qed/ctb_silicos_qed.html

The wrapper versions of this tool is slightly different between servers but both have a problem, and maybe the same container could solve both?

EU

toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_filter/openbabel_filter/3.1.1+galaxy1 -- green
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_filter/openbabel_filter/3.1.1+galaxy0 -- red (bug report sent in)

https://usegalaxy.eu/u/jenj/h/imported-from-archive-test-sdf-filter-openbabel-ctb-filter-1-0

psycopg2 is not available. It is currently used in the pgchem wrappers, that are not shipped with default CTB
0 molecules converted

ORG

toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/ctb_filter/1.0

https://usegalaxy.org/u/jen-galaxyproject/h/test-sdf-filter-openbabel-ctb-filter-1-0

        Traceback (most recent call last):

File "/cvmfs/main.galaxyproject.org/shed_tools/toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/125da3a296ca/openbabel/filter/ob_filter.py", line 11, in
import cheminfolib
ModuleNotFoundError: No module named 'cheminfolib'

AU doesn't host this tool category at all.