The `str_data_entry_current.json` file

This is a json file specifying the structure of the str_data fixed dictionary entries. The file is read by the read_checkpoint or the define_str_data_entry functions in the supporting_functions module and it is used to impose a fixed ensemble of keys and nesting structures for any str_data entry.

In its current implementation, the json file has four main parts:

• ENCOMPASS : a large fixed dictionary containing all relevant information for the classification of that entry in EncoMPASS
• FROM_PDB : information derived from the PDB database
• FROM_OPM : information derived from the OPM database
• PASSPORT : section for recording the choices that have been taken on the entry

Additionally, these keys also are available on level 1:

• status is a list of keywords telling the availability status of the entry, and its evolution during the process
• delete_Keyword
• present_cache is a string containing the address of the current coordinate file used for calculation.

When editing this file, is important to respect its format:

• Levels are indented: a 3rd-level keyword will be indented 2 times
• If a FixedDict or a FixedList have to be defined, the key name must start with "FixedDict::" or "FixedList::", respectively
• Edits will generate incompatibilities with previously pickled instances of str_data. For this reason, the currently-used json template file is conserved in <root>/logs/cache/