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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: "Herbert J. Bernstein" <yaya@bernstein-plus-sons.com>
- Date: Mon, 21 Mar 2011 06:57:14 -0400 (EDT)
- Cc: FCB <fcb@epsilon.pair.com>
- In-Reply-To: <AANLkTimKAwspNPNqJ=e-Y=ATCubCbCzFun7CkKJaLY=r@mail.gmail.com>
- References: <4D836784.9000206@mcmaster.ca><AANLkTimKAwspNPNqJ=e-Y=ATCubCbCzFun7CkKJaLY=r@mail.gmail.com>
Aye and Aye -- Herbert ===================================================== 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 Mon, 21 Mar 2011, 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> > > 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 > >
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