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Re: [ddlm-group] Relationship asmong CIF2, STAR,CIF1 and Python. .
- To: Group finalising DDLm and associated dictionaries <ddlm-group@iucr.org>
- Subject: Re: [ddlm-group] Relationship asmong CIF2, STAR,CIF1 and Python. .
- From: John Westbrook <jwest@rcsb.rutgers.edu>
- Date: Sun, 16 Jan 2011 09:13:07 -0500
- In-Reply-To: <alpine.BSF.2.00.1101160651520.88418@epsilon.pair.com>
- References: <alpine.BSF.2.00.1101120536370.71134@epsilon.pair.com> <alpine.BSF.2.00.1101120834010.42232@epsilon.pair.com> <8F77913624F7524AACD2A92EAF3BFA54166D7D1EA8@SJMEMXMBS11.stjude.sjcrh.local ><alpine.BSF.2.00.1101121400400.85750@epsilon.pair.com> <alpine.BSF.2.00.1101121556380.31518@epsilon.pair.com> <698308.91583.qm@web87015.mail.ird.yahoo.com> <alpine.BSF.2.00.1101121845060.90622@epsilon.pair.com> <alpine.BSF.2.00.1101131202050.27153@epsilon.pair.com> <8F77913624F7524AACD2A92EAF3BFA54166D7D1EB8@SJMEMXMBS11.stjude.sjcrh.local ><20110115124309.GC238@emerald.iucr.org> <a06240800c957bd6d16ee@[192.168.2.102]> <852149.16036.qm@web87006.mail.ird.yahoo.com> <a06240800c957d517a29e@[192.168.2.102]> <102605.32946.qm@web87004.mail.ird.yahoo.com> <a06240802c957da53dcb4@[192.168.2.102]> <878774.52502.qm@web87007.mail.ird.yahoo.com> <a06240803c95801a71470@[192.168.2.102]> <917746.19637.qm@web87007.mail.ird.yahoo.com><alpine.BSF.2.00.1101160651520.88418@epsilon.pair.com>
Hi Herbert, Your list of objectives is consistent with my understanding, and I would only add in addition to item 1 that there were some extensions specifically to facilitate dictionary merging and maintenance. Perhaps these are lumped into the context of DDLm, but these are in some since separate from the methods support. I believe these changes for merging have little impact on syntax issues, but Brian may want to comment on this issue. I would strengthen item 4 in that I believe the original idea was to fully support existing syntax and semantics for archived CIFs. I think this goal has been bent as the conversation has drifted into "improving" the syntax. John On 1/16/11 7:26 AM, Herbert J. Bernstein wrote: > > 1. Accomodate DDLm and dREL; and > 2. Do this in a way that keeps required changes to existing > archives to a minimum; and > 3. Do this in a way that allows as much existing CIF software > as possible to continue to operate reliably; and > 4. To the extent that changes will be needed in archives and > software, provide a clearly understood mechanism for making > those changes, with as much support software as possible; and > 5. Subordinate to the above, add new features to CIF that may > encourage broader use and more software support -- ****************************************************************** John Westbrook, Ph.D. Rutgers, The State University of New Jersey Department of Chemistry and Chemical Biology 610 Taylor Road Piscataway, NJ 08854-8087 e-mail: jwest@rcsb.rutgers.edu Ph: (732) 445-4290 Fax: (732) 445-4320 ****************************************************************** _______________________________________________ ddlm-group mailing list ddlm-group@iucr.org http://scripts.iucr.org/mailman/listinfo/ddlm-group
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