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Re: Self-described CIF proposal
- Subject: Re: Self-described CIF proposal
- From: Joe Krahn <krahn@xxxxxxxxxxxxx>
- Date: Mon, 02 Jun 2008 13:24:37 -0400
- In-Reply-To: <20080529202851.L97453@epsilon.pair.com>
- References: <483D8673.7090609@niehs.nih.gov> <a06240800c46338bc064b@[192.168.2.104]> <483F35F4.6010808@niehs.nih.gov><20080529202851.L97453@epsilon.pair.com>
OK, I think I understand now how to include extra "non-standardized" items, so that a regular user can write out some extra data not defined in the normal dictionary: just include a minimal extension dictionary for those extra items. The one thing that still seems to be missing is how to define which CIF dictionary a given data block and/or add-on dictionary depends on. Is there a mechanism for a data block to specify a dictionary, or is it just up to the user to know which dictionary to use? Thanks, Joe Krahn Herbert J. Bernstein wrote: > Yes, CIF dictionaries are layered, so you can have a local > dictionary that just add the few terms that you need, but > because they are layered, it is important to avoid namespace > conflicts and use unique prefixes for local dictionaries. > > ===================================================== > Herbert J. Bernstein, Professor of Computer Science > Dowling College, Kramer Science Center, KSC 121 > Idle Hour Blvd, Oakdale, NY, 11769 > > +1-631-244-3035 > yaya@dowling.edu > ===================================================== > > On Thu, 29 May 2008, Joe Krahn wrote: > >> Often it is useful to write out data that does not make sense to >> standardize, and is not intended for a database. For example, maybe I >> want to calculate and write out a derived value for each atom, like >> "distance from Tryptophan 217", or "number of waters within 3.0A". I >> suppose one could use a dictionary with a few generic values like >> "user1", "user2" for temporary working values. >> >> Alternatively, is it possible to write a dictionary that describes just >> the additional entries and inherit the standard dictionary for >> everything else? >> >> Joe Krahn >> ... _______________________________________________ cif-developers mailing list cif-developers@iucr.org http://scripts.iucr.org/mailman/listinfo/cif-developers
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- References:
- Self-described CIF proposal (Joe Krahn)
- Re: Self-described CIF proposal (Herbert J. Bernstein)
- Re: Self-described CIF proposal (Joe Krahn)
- Re: Self-described CIF proposal (Herbert J. Bernstein)
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