Fwd: Items for fast track COMCIFS approval

Ralf W. Grosse-Kunstleve rwgk at yahoo.com
Mon Mar 21 16:00:17 GMT 2011


Hi James,
My vote is to approve the changes.
Ralf



>
>From: James Hester <jamesrhester at gmail.com>
>To: Discussion list of the IUCr Committee for the Maintenance of the CIF  
>Standard (COMCIFS) <comcifs at iucr.org>
>Sent: Sun, March 20, 2011 7:25:37 PM
>Subject: Fwd: Items for fast track COMCIFS approval
>
>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> 
>
>
>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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