Global section in CIF headers

Brian H. Toby Brian.Toby at
Tue Sep 8 17:44:25 BST 2009

A global section could also be used to describe the relationships  
between data blocks in a single CIF. To date, (outside of pdCIF) the  
CIF model has assumed that each block is fully defined internally and  
thus can be used independently. This defeats the point of having  
multi-block file structures.


On Sep 8, 2009, at 10:28 AM, Joe Krahn wrote:

> I have been thinking that it makes sense to allow a global_ block as
> part of a CIF file. Globals have been excluded because they don't fit
> very well into the data model, but it might be useful to allow them to
> provide general format hints to the parser.
> My idea is that a common low-level parser could be used for mmCIF,  
> CIF,
> and possibly other STAR variants. The global_ header would define
> parsing rules for the file, including possible future revisions of the
> same format, but not be considered part of the actual mmCIF data. For
> example:
> global_
> _format         mmCIF
> _version        1.2
> In a way, this just replaces the initial comment-embedded CIF
> identifier, but I have always dislike the idea of a comment containing
> data. This approach could be more detailed, depending on how much the
> CIF/mmCIF format changes over time. Will it ever include STAR 2.0
> bracketed lists? Will they ever directly include Unicode text?
> Joe Krahn
> _______________________________________________
> comcifs mailing list
> comcifs at

Brian H. Toby, Ph.D.                            office: 630-252-5488
Senior Physicist/Materials Characterization Group Leader
Advanced Photon Source
9700 S. Cass Ave, Bldg. 433/D003             work cell: 630-327-8426
Argonne National Laboratory         secretary (Marija): 630-252-5453
Argonne, IL 60439-4856         e-mail: brian dot toby at anl dot gov
"We will restore science to its rightful place, and wield  
technology's wonders... We will harness the sun and the winds and the  
soil to fuel our cars and run our factories...  All this we can do.  
All this we will do."

-------------- next part --------------
An HTML attachment was scrubbed...

More information about the comcifs mailing list