I found that in this release public repository, we still lack the "proper" extracting top_poses script for handling the "test.mol2.gz.*" file. We have two options:
- Link the docktop repository here https://github.com/docking-org/docktop and remove the legacy repository here
- Fix the top_poses.py in the legacy folder. Upon running the top_poses.py in the legacy folder, I found that this script is not updated to the commit docking-org/docktop@55851cb. I can open a PR to fix this, as it is a quick fix. I don't think we should distribute the bug script to the end users.
Can you or someone have a look on this @bwhall61
I found that in this release public repository, we still lack the "proper" extracting top_poses script for handling the "test.mol2.gz.*" file. We have two options:
Can you or someone have a look on this @bwhall61