Skip to content

Problems with extracting top poses for DOCK3.8.5 #2

@phonglam3103

Description

@phonglam3103

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:

  1. Link the docktop repository here https://github.com/docking-org/docktop and remove the legacy repository here
  2. 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

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions