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[WIP] ma_qa_metric_local_pairwise support in quality-assessment extension

Open dsehnal opened this issue 1 year ago • 0 comments

Description

Adds support for pairwise quality assessment scores

  • [x] Proof of concept
    • [x] Load data from ma_qa_metric_local_pairwise present in the input file
    • [x] Draw simple PNG
  • [x] Plot interactivity
  • [ ] Select data source for plot
    • [ ] Support loading data from separate data sources (separate mmCIF or AlphaFold DB JSON file)
  • [ ] Structure interactivity
    • [ ] Coloring based on plot selection
    • [ ] Mouse over highlight
  • [ ] PluginConfig options
    • [ ] Disable PAE component
    • [ ] Auto-show PAE component
  • [ ] Standalone mode (make it easy to render the plot outside the main Mol* UI)

Example

Data from https://www.modelarchive.org/doi/10.5452/ma-bak-cepc-0944

image

Actions

  • [ ] Added description of changes to the [Unreleased] section of CHANGELOG.md
  • [ ] Updated headers of modified files
  • [ ] Added my name to package.json's contributors
  • [ ] (Optional but encouraged) Improved documentation in docs

dsehnal avatar Oct 20 '24 09:10 dsehnal