Fwd: Items for fast track COMCIFS approval
John Westbrook
jwest at rcsb.rutgers.edu
Mon Mar 21 16:57:41 GMT 2011
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 at iucr.org> <mailto:coredmg at 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
>
>
> --
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>
>
>
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--
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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 at rcsb.rutgers.edu
Ph: (732) 445-4290 Fax: (732) 445-4320
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