scripts.data.postprocessingΒΆ

Modules

scripts.data.postprocessing.batch_arr_dTERMen

Submit a batch array job on SLURM to run multiple batched dTERMen jobs.

scripts.data.postprocessing.fix_dTERMen

Patch dTERMen runs with errors.

scripts.data.postprocessing.search_utils

Functions for searching directories of PDB files and dTERMen runs.

scripts.data.postprocessing.summarize_results

Parse the results of all dTERMen runs ran in a directory and create a summary csv.

scripts.data.postprocessing.to_etab

Parse output of TERMinator into .etab files for use in MST.