Items for the coreCIF dictionary relating to restraints

David Brown idbrown at mcmaster.ca
Thu Dec 13 20:51:33 GMT 2007


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
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