Skip to content

feat: add relative vector evaluation metric for multimers #1

@jakublala

Description

@jakublala

AnalyzePermutations class -- high-level class does everything, including plots.

Make an equivalent of the DockQ evaluation function - lives in utils.py.

Then add it to do_monomer_and_multimer_comparison.


The approach is to center chain A, then find vectors to chain B and chain C -- always considering the centroids/centres off mass. Then the angle and the magnitude of the vector should be informative.

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