Fwd: Items for fast track COMCIFS approval
Herbert J. Bernstein
yaya at bernstein-plus-sons.com
Mon Mar 21 10:57:14 GMT 2011
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 at 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 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
>
>
More information about the comcifs
mailing list