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Re: Message from the corecifchem chair

  • To: Chemical information in core CIF <corecifchem@iucr.org>
  • Subject: Re: Message from the corecifchem chair
  • From: "I. David Brown" <idbrown@mcmail.cis.mcmaster.ca>
  • Date: Tue, 30 Sep 2003 14:43:50 -0400 (EDT)
  • In-Reply-To: <3F794F7F.A4D35F27@cryst.unige.ch>
Thank you Howard for the suggestion that we need someone more chemical in
our discussion.  I am still trying to prepare my opening salvo for the
coreCIFchem discussion, but people keep sending me emails before I am
ready, which slows down the whole process :)

IUPAC is holding a workshop at NIST in November which I am hoping to get
to.  The first half of the workshop is devoted to discussing XML schema
for chemistry.  I will describe our project, but I am also hoping to get
an idea of the way they are approaching the problem and using this
information to make sure that there is a seamless interface between their
schema and coreCIF.  I am also hoping to make contacts and possibly find
someone who might be willing to join our discussion.  Peter Murray-Rust is
one of the people who will be attending.

The second part of the workshop is the IUPAC-IChI project which I think
stands for International Chemical Identifier.  The idea is to have some
means of identifying a particular chemical when it apears in different
contexts.  Some time ago the people working on this project approached
Sidney Abrahams (at that time chair of the Commission on Crystallographic
Nomenclature) asking how they might devise an identifier for the
crystallographic phase.  Sidney asked me to head a group to come up with
an answer.  We have been working on this problem, but it is on hold at the
moment until I have a chance to find out more about the IChI project at

I hope this answers your questions.


Dr.I.David Brown,  Professor Emeritus
Brockhouse Institute for Materials Research,
McMaster University, Hamilton, Ontario, Canada
Tel: 1-(905)-525-9140 ext 24710
Fax: 1-(905)-521-2773

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