convert_to_extxyz

convert_to_extxyz#

autoplex.data.common.jobs.convert_to_extxyz(job_output, pkl_file, config_type, factor)[source]#

Convert data and write extxyt file.

Parameters:
  • job_output – the (static) job output object.

  • pkl_file (str) – a pickle file.

  • config_type (str) – configuration type of the data.

  • factor (str) – string of factor to resize cell parameters.