tcr_pmhc_interface_analysis.apps.cluster_cdr_loop_structures ============================================================ .. code-block:: text usage: python -m tcr_pmhc_interface_analysis.apps.cluster_cdr_loop_structures [-h] [--output OUTPUT] [--assign-cluster-types] [--stcrdab-path STCRDAB_PATH] [--log-level {debug,info,warning,error}] structure_names distance_matrices [distance_matrices ...] Cluster TCR CDR Loop structures and assign them as canonical or pseudo clusters. Adding cannonical conformation information to clusters ------------------------------------------------------ Based on the definition from Comparative Analysis of the CDR Loops of Antigen Receptors (https://doi.org/10.3389/fimmu.2019.02454), canonical clusters are any cluster where there are more than two unique sequences within the density clusters. The other clusters will be refered to as pseudo-clusters, as these may just be the effect of the same loop finding the same conformation. positional arguments: structure_names path to the structure names file distance_matrices paths to the distance matrices options: -h, --help show this help message and exit --output OUTPUT, -o OUTPUT output path --assign-cluster-types assign cluster types (requires --stcrdab-path input) --stcrdab-path STCRDAB_PATH path to the STCRDab Logging: Options for logging --log-level {debug,info,warning,error} Level to log messages at (Default: 'warning')