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Items for the coreCIF dictionary relating to restraints

  • To: Distribution list of the IUCr COMCIFS Core Dictionary Maintenance Group <coredmg@iucr.org>
  • Subject: Items for the coreCIF dictionary relating to restraints
  • From: David Brown <idbrown@mcmaster.ca>
  • Date: Thu, 13 Dec 2007 15:51:33 -0500
Title:
Dear Colleagues,

Ilia Guzei and I have put together the attached document describing a way in which constraints and restraints applied during a structure refinement could be recorded in a CIF.  There has been some demand for such an addition to the core dictionary.

I would appreciate it if you could look over the attanched document and let me have any comments before Jan 20.  The proposal is in the form of CIF examples as this should be easier to read and understand than reading dictionary code.  We will construct the dictionary code after we have your comments.  You will have a chance to check the code before the dictionary is submitted for final COMCIFS approval.

PLEASE MAY I HAVE YOUR COMMENTS BEFORE 20 JANUARY 2008.  Let me know if you need an extension.

I look forward to hearing from you.

David

RestraintsDraft07-12-13.cif

begin:vcard
fn:I.David Brown
n:Brown;I.David
org:McMaster University;Brockhouse Institute for Materials Research
adr:;;King St. W;Hamilton;Ontario;L8S 4M1;Canada
email;internet:idbrown@mcmaster.ca
title:Professor Emeritus
tel;work:+905 525 9140 x 24710
tel;fax:+905 521 2773
version:2.1
end:vcard


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