Add/Parse Information about Secondary Structure Elements

[rasbt]

Add a new dataframe object as PandasPdb.df['SSE'], which contains secondary structure element information. This pandas DataFrame would have the same number of rows as the coordinate section DataFrame ('ATOM') and columns "helix" and "sheet" with type "bool."

For ease of use, the SSE dataframe could share the dataframe indices with the PandasPdb.df['ATOM'] section. It may only get tricky if one ('ATOM' or 'SSE') gets updated & reindex and not the other.

Thus, alternatively, SSE information could be added directly to the 'ATOM' DataFrame, for instance as bool columns 'helix' and 'sheet'.

In any case, I would suggest to make this feature optional; for instance, by calling a function "parse_sse" that uses the information provided in the .pdb_text.