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Re: Fwd: Items for fast track COMCIFS approval
- To: "Discussion list of the IUCr Committee for the Maintenance of the CIFStandard (COMCIFS)" <comcifs@iucr.org>
- Subject: Re: Fwd: Items for fast track COMCIFS approval
- From: John Westbrook <jwest@rcsb.rutgers.edu>
- Date: Mon, 21 Mar 2011 12:57:41 -0400
- In-Reply-To: <AANLkTimKAwspNPNqJ=e-Y=ATCubCbCzFun7CkKJaLY=r@mail.gmail.com>
- References: <4D836784.9000206@mcmaster.ca><AANLkTimKAwspNPNqJ=e-Y=ATCubCbCzFun7CkKJaLY=r@mail.gmail.com>
I approve both changes. Regards, John On 3/20/11 10:25 PM, James Hester wrote: > Dear COMCIFS, > > The following changes to the core dictionary have been approved without comment by the coreCIF dictionary maintenance group. > According to our procedures they are now ready for final COMCIFS discussion and approval. Following any discussion that may take > place, COMCIFS voting members are asked to vote to either approve or reject these changes. Failure to vote will be considered a > vote to approve if a member has not voted within six weeks of today's date. > > James. > > -------- Original Message -------- > Subject: Items for fast track approval > Date: Fri, 04 Feb 2011 10:30:03 -0500 > From: David Brown > To: Distribution list of the IUCr COMCIFS Core Dictionary Maintenance Group <coredmg@iucr.org> <mailto:coredmg@iucr.org> > > > > Dear Colleagues, > > > We have had two suggestions for fast track changes to the core CIF dictionary. > > These are: > > 1. A new enumeration value for _atom_sites_solution_: > > 'iterative' > > which may be defined as: > > 'iterative algorithm, e.g. charge flipping (Oszlanyi and Suto, 2004. Acta Cryst. A60, 134-141)' > > (Contributed by Arie van der Lee) > > > > 2. A new enumeraton value for _atom_sites_solution_hydrogens, > > 'mixed' > > which may be defined as: > > 'a mixture of "geom" and "difmap"' > > This enumeration is currently widely, though illegaly, used. As validating programs become increasingly strict in their > interpretation of CIF rules, this enumeration will have to be added to ensure that the archive of CIFs can be properly read. > > Contriburted by David Watkin > > > -- > T +61 (02) 9717 9907 > F +61 (02) 9717 3145 > M +61 (04) 0249 4148 > > > > _______________________________________________ > comcifs mailing list > comcifs@iucr.org > http://scripts.iucr.org/mailman/listinfo/comcifs -- ****************************************************************** 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 ******************************************************************
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