mkt.databases.kincore.update_original_cif_with_new_coords

mkt.databases.kincore.update_original_cif_with_new_coords(str_orig: str, str_updated: str, str_filepath: str) None[source]

Update original CIF file with new coordinates post-alignment.

Parameters:
  • str_orig (str) – Path to original tar.gz CIF file

  • str_updated (str) – Path to updated tar.gz CIF file

  • str_filepath (str) – Path to save updated CIF tar.gz file

Returns:

None

Return type:

None