swamp-make-library options

SWAMP-MAKE-LIBRARY: Create an ensemble library for SWAMP

usage: swamp-make-library [-h] [-nprocs [NPROCS]] [-homologs [HOMOLOGS]]
                          [-overwrite_library] [-min_samples [MIN_SAMPLES]]
                          [-xi [XI]] [-cluster_method [CLUSTER_METHOD]]
                          [-max_eps [MAX_EPS]] [-eps [EPS]]
                          [-min_cluster_size [MIN_CLUSTER_SIZE]]
                          workdir

Positional Arguments

workdir Working directory to perform ensemble clustering

Named Arguments

-nprocs

Number of processors to use

Default: 1

-homologs A file with the list of homolog structures to exclude
-overwrite_library
 

If set, overwrite the SWAMP library with the new ensembles

Default: False

-min_samples

sklearn.OPTICS: no. of samples in a neighborhood for a point to be considered as a core

Default: 2

-xi

sklearn.OPTICS: min.steepness on the reachability plot to constitute a cluster boundary

Default: 0.01

-cluster_method
 

sklearn.OPTICS: extraction method using the calculated cluster reachability

Default: “xi”

-max_eps

sklearn.OPTICS: max. dist. between points to consider within neighborhood of each other

Default: 0.2

-eps

sklearn.OPTICS: max. dist. between points to consider within neighborhood of each other

Default: 0.2

-min_cluster_size
 

sklearn.OPTICS: min. no. of samples in a cluster

Default: 2