Connectivity to other often used dataformats (e.g. numpy arrays, pickled arrays, pandas Dataframes)

[Kloppel]

I think we should enable, for all the users who do not want to interact with the standard python datastructures, the possibility to interact with the information read in through our software, but directly converted to

• numpy arrays
• pickeld arrays
• pandas dataframe
• biopython pdb objects
• etc. so that the lines object is transformed into the data formats, but going through the line_dict process to ensure that the information gets pasted into the correct e.g. columns.

[Kloppel]

A format we should also include, and for which a lot of functionality also exists is mmCIF, which is the currently recommended format of the people developing the RCSB PDB. Only simulation programs have not been updated in several years as to what goes in as a data format - probably because the community (which is mostly non programmers) has created a lot of tools around this that fix the several issues (as we are currently trying to do) around the old data format, and are too tired to move to a new dataformat.