ample.ensembler.homologs module¶

Ensembler module for homolog structures

class HomologEnsembler(**kwargs)[source]¶

Bases: ample.ensembler._ensembler.Ensembler

Ensemble creator using on multiple distant homologous structures

Methods

edit_side_chains(raw_ensemble[, …])

Mutate side chains for the supplied all-atom ensembles

generate_ensembles
generate_ensembles_from_amoptd
superpose_models

generate_ensembles(models, alignment_file=None, ensembles_directory=None, homolog_aligner=None, nproc=None, percent_truncation=None, side_chain_treatments=[‘polyAla’], truncation_method=None)[source]¶

generate_ensembles_from_amoptd(models, amoptd)[source]¶

align_gesamt(models, gesamt_exe=None, work_dir=None)[source]¶

align_mustang(models, mustang_exe=None, work_dir=None)[source]¶