The only feature that might still be in use with the openbabel code path is mk_export.py --original_input (https://github.com/forlilab/Meeko/issues/23). It's probably no longer in use because it has been 2 years since the atom indices required for --original_input aren't added by default with mk_prepare_ligand.py. It can be re-implemented with the RDKit code path if the need arises.
This was completed in 50dfda0 + 5f2f1bd.
At present in the develop branch, the option --original_input is removed. Please feel free to reopen if it needs to be re-implemented
rwxayheee
commented
3 weeks ago
The only feature that might still be in use with the openbabel code path is
mk_export.py --original_input(https://github.com/forlilab/Meeko/issues/23). It's probably no longer in use because it has been 2 years since the atom indices required for--original_inputaren't added by default withmk_prepare_ligand.py. It can be re-implemented with the RDKit code path if the need arises.