Crystallographic Information Framework

[CIF logo] The following strings (in bold type) are identifiers for local CIF data names, reserved for the purpose and by the person stated.

B+S
This prefix is for use in creating various tags used by the author in projects on CIF, mmCIF, imageCIF, etc. to avoid conflict with the standard dictionaries.

Herbert J. Bernstein ([email protected]) Wed Oct 29 10:49:35 1997

BplusS
Alternative to B+S for use with DDLm

Herbert J. Bernstein ([email protected]) Fri Jan 21 11:39:34 2011

CCP4
http://www.dl.ac.uk/CCP/CCP4/main.html

Sue Bailey ([email protected]) Wed Apr 22 11:08:15 1998

H5
HDF5 related tags for CIF support of HDF5 and NeXus

Herbert J. Bernstein ([email protected]) Sat Dec 29 16:26:51 2012

ISO
Tags used by the ISOTROPY Software Suite

Branton J. Campbell ([email protected]) Fri May 11 21:47:33 2018

LANL
For internal use of the XRD service at Los Alamos National Lab

Conrad Goodwin ([email protected]) Tue May 15 17:40:37 2018

NIEHS
general-use local prefix for NIEHS (National Institute of Environmental Health Sciences)

Joseph M Krahn ([email protected]) Wed Mar 7 19:44:10 2007

NX
Nexus-related tags for CIF HDF5/NeXus integration

Herbert J. Bernstein ([email protected]) Sat Dec 29 16:28:25 2012

SSAD
Prefix for Sulfur SAD Database CIFS

Herbert J. Bernstein ([email protected]) Sun Jun 5 13:38:40 2011

TOPOS
Prefix names for the data items generated by the ToposPro software

Vladislav A. Blatov ([email protected]) Tue May 8 18:27:35 2018

acihd
local names used by ACI Heidelberg

H. Wadepohl ([email protected]) Tue Aug 5 07:58:11 2008

aflow
Tags for AFLOW high-throughput Density Functional Calculations

Michael Mehl ([email protected]) Fri May 19 17:05:58 2017

amcsd
Identifier for file created as an entry in the American MIneralogist Crystal Structure Database (http://rruff.geo.arizona.edu/AMS/amcsd.php)

Robert T Downs ([email protected]) Tue May 4 23:46:52 2010

anbf
Australian National Beamline Facility

James R Hester ([email protected]) Fri Jul 21 03:01:35 2000

asd
Active Site Database

Alexei Adzhubei ([email protected]) Thu Mar 18 08:50:51 1999

bruker
Used by Bruker AXS software for items not covered in core and mmCif dictionaries

Joerg Kaercher ([email protected]) Thu Aug 2 20:36:13 2007

cambridge
Prefix for University of Cambridge internal CIF items

Andrew Bond ([email protected]) Sat Jun 1 09:57:09 2024

ccdc
Cambridge Crystallographic Data Centre

F.H. Allen ([email protected]) Tue Aug 12 15:10:50 1997

cgraph
Oxford Cryosystems Crystallographica package

A. Renshaw ([email protected]) Tue Aug 12 15:06:18 1997

chimerax
Prefix for UCSF ChimeraX

Greg Couch ([email protected]) Thu Aug 2 22:03:42 2018

cod
Prefix used for data items added by COD maintainers and depositors.

Saulius Grazulis, Crystallography Open Database (COD) ([email protected]) Wed Jan 21 08:10:08 2009

crystmol
Used by CrystMol software for items not covered in core and mmCif dictionaries

David J. Duchamp ([email protected]) Sun Oct 7 15:18:11 2001

csd
Cambridge Structural Database

Frank H. Allen ([email protected]) Fri Jun 21 10:24:26 2002

dft
A prefix for data pertaining to density functional theory calculations, such as convergence criteria, precise method used etc.

Torbjörn Björkman ([email protected]) Thu Apr 25 13:16:56 2013

ebi
macromolecular harvest deposition files

Kim Henrick ([email protected]) Tue Dec 9 16:03:35 1997

edchem
Our locally-invented cif names

Edinburgh University Chemistry ([email protected]) Sat May 4 20:29:33 2002

gsas
GSAS powder refinement system

A. Larson Tue Aug 12 15:07:43 1997

gsk
In house GlaxoSmithKline data entries

R. Curtis Haltiwanger ([email protected]) Tue Jul 3 02:27:22 2001

iims
Integration of Information about Macromolecular Structure. Integration of the results of 3D Electron Microscopy with existing data models from X-ray and NMR methods.

Richard Newman ([email protected]) Wed May 23 08:39:45 2001

itqb
Local names of Instituto de Tecnologia Quimica e Biologica da Universidade Nova de Lisboa, Oeiras, Portugal, especially for molecular modelling extensions

Carlos A. Cunha ([email protected]) Wed Sep 17 16:35:43 2003

iucr
IUCr journal use

B. McMahon ([email protected]) Tue Aug 12 15:08:27 1997

manchester
For internal use of the XRD service at The University of Manchester

Fabrizio Ortu ([email protected]) Tue Sep 5 08:16:47 2017

mdb
Model Database, database of model structures of biological molecules

Alexei A. Adzhubei ([email protected]) Thu Jan 7 10:29:17 1999

montpellier
Prefix for University of Montpellier internal CIF items

Arie van der Lee ([email protected]) Tue Jul 19 10:19:31 2011

mp
Information specific to the Materials Project (MP) database and its related software tools. See materialsproject.org and github.com/materialsproject for more information.

Matthew Horton ([email protected]) Mon Aug 6 21:22:19 2018

mpod
prefix used in the MPOD database: www.materialproperties.org

Daniel Chateigner ([email protected]) Mon Dec 6 15:06:19 2010

msd
data items for the European Bioinformatics Institute Molecular Structure Database Group

Kim Henrick ([email protected]) Wed Sep 23 11:16:14 1998

naned
Prefix for CIF entries created within the project NanED for 3DED data. Proposals for expanding CIF dictionary to fully accomodate 3DED data.

Lukas Palatinus ([email protected]) Tue Sep 20 09:44:23 2022

ndb
Nucleic Acids Database Project, Rutgers University

John Westbrook ([email protected]) Fri Oct 24 13:28:10 1997

nomad
Data names defined by the NOMAD Center of Excellence for theoretical material science calculations and structures.

NOMAD laboratory ([email protected]) Fri Oct 28 12:39:43 2016

nottingham
Prefix for University of Nottingham internal CIF items

Alexander J. Blake ([email protected]) Mon Jun 14 15:18:33 2010

oxford
Used in conjunction with the Oxford CRYSTALS program

David Watkin ([email protected]) Tue Jul 8 10:57:17 2003

parvati
validation and statistical summaries from PARVATI validation server http://www.bmsc.washington.edu/parvati

Ethan A Merritt ([email protected]) Mon Jun 3 22:23:37 2002

pdb2cif
Dictionary of additions to mmCIF used by the program pdb2cif by P. E. Bourne, F. C. Bernstein and H. J. Bernstein

Herbert J. Bernstein ([email protected]) Wed Oct 29 10:44:22 1997

pdb
Protein Data Bank

John Westbrook ([email protected]) Fri Oct 24 13:34:14 1997

pdbx
Protein Data Bank - exchange dictionary prefix

John Westbrook ([email protected]) Thu Jun 8 13:29:17 2000

phenix
PHENIX is a software suite for the automated determination of macromolecular structures using X-ray crystallography and other methods.

Richard Gildea ([email protected]) Wed Oct 10 22:37:11 2012

prop
prefix for properties as used in the MPOD database: www.materialproperties.org

Daniel Chateigner ([email protected]) Mon Dec 6 15:02:59 2010

publcif
Local items used by the publCIF editor

Simon P. Westrip ([email protected]) Mon Jun 13 13:48:10 2011

raman
Data items for recording spectra obtained by Raman spectroscopy technique.

Saulius Grazulis ([email protected]) Wed Feb 22 07:36:20 2017

rayonix
Information specific to Rayonix (Mar USA) instruments

Michael Blum ([email protected]) Tue Sep 25 18:49:37 2007

rcsb
Research Collaboratory for Structural Bioinformatics

John Westbrook ([email protected]) Thu Nov 25 13:15:00 1999

rotag
Prefix used for the data items generated by rotag software.

Algirdas Grybauskas ([email protected]) Mon Jul 15 11:30:13 2019

shelx
SHELXL solution and refinement programs

G.M. Sheldrick ([email protected]) Tue Aug 12 15:10:14 1997

solsa
SOLSA H2020 project Sonic Drilling coupled with Automated Mineralogy and chemistry On-Line-On-Mine-Real-Time)

Saulius Grazulis, Crystallography Open Database (COD) ([email protected]) Mon Feb 8 10:43:36 2016

sydney
Prefix for University of Sydney internal CIF items

William Lewis ([email protected]) Mon Aug 6 06:38:39 2018

tcod
Data names specific to the Theoretical Crystallography Open Database, http://www.crystallography.net/tcod

Saulius Grazulis ([email protected]) Fri May 17 14:58:47 2013

vrf
Validation Reply Form (IUCr/Acta C use)

Michael Hoyland ([email protected]) Wed Jul 15 16:29:08 1998

wdc
Entries in the World Directory of Crystallographers

Brian McMahon ([email protected]) Wed Sep 2 16:40:00 1998

xtal
Xtal program system

S.R. Hall ([email protected]) Tue Aug 12 15:12:01 1997
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