I do not understand the difference between _ (underscore) and . (dot) in CIF/STAR commands.
I have not found a DDL reference that explains the difference.
This whole area is messy and inconsistent. These names are not well structured.
Some files have: _cell_length_a
This is DDL1. I think you should stick with this
others have: _cell.length_a
Does this occur in mmCIF? If so it is using DDL2. I wrote a DDL2 reader some while ago ... I suppose the simplest thing is to expect either.
I have a similar question regarding case sensitivity.
Some files have: _atom_site.Cartn_x others have: _atom_site_cartn_x
CIF names are case insensitive. Some of them contain punctuation (e.g. _sintheta/lambda). That makes it difficult to generate code from them.
I would suggest that this is all driven from dictionaries although the variations you mention make it harder.
P.
Please advise.
Miguel
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