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Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069
Reply to: [list | sender only]
Re: Finding nemo.dic
- To: "Discussion list of the IUCr Committee for the Maintenance of the CIFStandard (COMCIFS)" <comcifs@iucr.org>
- Subject: Re: Finding nemo.dic
- From: Peter Murray-Rust <pm286@cam.ac.uk>
- Date: Wed, 6 Jul 2011 17:26:24 +0100
- Cc: mh@iucr.org
- In-Reply-To: <20110706135044.GA15810@emerald.iucr.org>
- References: <20110706135044.GA15810@emerald.iucr.org>
On Wed, Jul 6, 2011 at 2:50 PM, Brian McMahon <bm@iucr.org> wrote:
This looks like a good way to go - its' essentially creating URIs in a slightly different syntax. We are trying to do something very similar in computational chemistry and any lead from IUCr/CIF will be very powerful.
P.
Dear Colleagues
I try to manage the "official" CIF dictionaries in an orderly way,
in part through maintenance of the CIF dictionary register
ftp://ftp.iucr.org/pub/cifdics/cifdic.register
...
##############################################################################
# Private dictionaries maintained by third parties but with archival copies #
# available through the IUCr #
##############################################################################
cif_nemo.dic . 1.4.1 . .
http://www.nemo.com/cif/dictionary/cif_nemo.dic
'Items used by the NEMO software package'
cif_nemo.dic 1.0 1.4.1 . 2010-12-25
ftp://ftp.iucr.org/pub/cifdics/extras/cif_nemo.1.0.dic
'Items used by the NEMO software package'
This looks like a good way to go - its' essentially creating URIs in a slightly different syntax. We are trying to do something very similar in computational chemistry and any lead from IUCr/CIF will be very powerful.
P.
--
Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069
Reply to: [list | sender only]
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- Finding nemo.dic (Brian McMahon)
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