Ensembler module for single model structures
SingleModelEnsembler(**kwargs)[source]¶Bases: ample.ensembler._ensembler.Ensembler
Ensemble creator using on a single input structure and a corresponding score file with per residue scores for truncation
Methods
edit_side_chains(raw_ensemble[, …]) |
Mutate side chains for the supplied all-atom ensembles |
generate_ensembles(models[, …]) |
Method to generate ensembles from a single structure based on |
generate_ensembles_from_amoptd(models, amoptd) |
Generate ensembles from data in supplied ample data dictionary. |
| superpose_models |
generate_ensembles(models, ensembles_directory=None, nproc=None, percent_truncation=None, side_chain_treatments=[‘polyAla’], truncation_method=None, truncation_pruning=None, truncation_scorefile=None, truncation_scorefile_header=None)[source]¶Method to generate ensembles from a single structure based on residue scores