haddock.clis.re.clustrmsd module

haddock3-re clustrmsd subcommand.

haddock.clis.re.clustrmsd.add_clustrmsd_arguments(clustrmsd_subcommand)

Add arguments to the clustrmsd subcommand.

haddock.clis.re.clustrmsd.reclustrmsd(clustrmsd_dir: str, n_clusters: bool | int | None = None, clust_cutoff: bool | float | None = None, min_population: bool | int | None = None) → Path

Recluster the models in the clustrmsd directory.

Parameters:

• clustrmsd_dir (str) – Path to the clustrmsd directory.

• n_clusters (Union[bool, int]) – Number of clusters to generate.

• clust_cutoff (Union[bool, float]) – Clustering cutoff distance.

• min_population (Union[bool, int]) – Cluster population min_population.

Returns:

outdir (Path) – Path to the interactive directory.