Fwd: Items for fast track COMCIFS approval
Brian McMahon
bm at iucr.org
Thu Mar 24 10:13:18 GMT 2011
I approve both changes.
Regards
Brian
On Mon, Mar 21, 2011 at 01:25:37PM +1100, 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><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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