[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
--
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)" <[email protected]>
- Subject: Re: Finding nemo.dic
- From: Peter Murray-Rust <[email protected]>
- Date: Wed, 6 Jul 2011 17:26:24 +0100
- Cc: [email protected]
- In-Reply-To: <[email protected]>
- References: <[email protected]>
On Wed, Jul 6, 2011 at 2:50 PM, Brian McMahon <[email protected]> wrote:
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.
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]
- References:
- Finding nemo.dic (Brian McMahon)
- Prev by Date: Re: Finding nemo.dic
- Next by Date: Moving first closed meeting to Sunday 28th August
- Prev by thread: Re: Finding nemo.dic
- Next by thread: Release of the cif_core_restraints dictionary and superscript mark up
- Index(es):