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[sverhoeven]

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Closes #719

Uses Structures table from i-VRESSE/haddock3-analysis-components#13 to render when there are no clusters.

[mgiulini]

hey @sverhoeven , does this take also care of showing the top 4 models even when not all clusters have four models? I already developed some code that takes care of that issue, let me know

[sverhoeven]

@mgiulini it does for example

Also notice the std dev is not shown if 0.

Unclustered structurers are shown as rows:

[sverhoeven]

The CI integration workflow (https://github.com/haddocking/haddock3/actions/runs/7916792483/job/21611546576?pr=799) is complaining about missing cns and csv files. I think this is due to being a PR from a fork.

@rvhonorato can you assist?

[rvhonorato]

@sverhoeven, added a skip here #801

[mgiulini]

@mgiulini it does for example

Also notice the std dev is not shown if 0.

Unclustered structurers are shown as rows:

@sverhoeven looks perfect! let me know when it's ready and I'll review this!

[sverhoeven]

What should happen when there are more than 10 clusters?
Should I merge all those into a cluster called - and recalculate the mean and std dev and show the best 4 structure in that combined cluster? Or show until the 11th cluster and not show clusters with rank >10.

Almost ready, just need to make webapp use this PR and solve question above.

[mgiulini]

What should happen when there are more than 10 clusters? Should I merge all those into a cluster called - and recalculate the mean and std dev and show the best 4 structure in that combined cluster? Or show until the 11th cluster and not show clusters with rank >10.

Almost ready, just need to make webapp use this PR and solve question above.

first option! it would be in line with the 2.4 output https://bianca.science.uu.nl/haddock2.4/result/4242424242/0-E2A-HPR and, more importantly, would allow to directly inspect the best 4 structures that are not part of the top 10 clusters. This should be called "Other" rather than "-" I would say.

would it be feasible to add a short disclaimer saying something like "This is not a real cluster but rather a combination of the top models of the other clusters"?

[mgiulini]

plots look for the examples! I created this PR to uniform the names in capri folders #805 , maybe we can first merge that and then this one

[sverhoeven]

plots look for the examples! I created this PR to uniform the names in capri folders #805 , maybe we can first merge that and then this one

I caught up to #805, so this pr is ready to get merged.