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 (yaya@bernstein-plus-sons.com) Wed Oct 29 10:49:35 1997

BplusS
Alternative to B+S for use with DDLm

Herbert J. Bernstein (yaya@bernstein-plus-sons.com) Fri Jan 21 11:39:34 2011

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

Sue Bailey (ccp4@dl.ac.uk) Wed Apr 22 11:08:15 1998

H5
HDF5 related tags for CIF support of HDF5 and NeXus

Herbert J. Bernstein (yayahjb@gmail.com) Sat Dec 29 16:26:51 2012

ISO
Tags used by the ISOTROPY Software Suite

Branton J. Campbell (branton_campbell@byu.edu) Fri May 11 21:47:33 2018

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

Conrad Goodwin (cgoodwin@lanl.gov) Tue May 15 17:40:37 2018

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

Joseph M Krahn (krahn@niehs.nih.gov) Wed Mar 7 19:44:10 2007

NX
Nexus-related tags for CIF HDF5/NeXus integration

Herbert J. Bernstein (yaya@bernstein-plus-sons.com) Sat Dec 29 16:28:25 2012

SSAD
Prefix for Sulfur SAD Database CIFS

Herbert J. Bernstein (yaya@bernstein-plus-sons.com) Sun Jun 5 13:38:40 2011

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

Vladislav A. Blatov (blatov@topospro.com) Tue May 8 18:27:35 2018

acihd
local names used by ACI Heidelberg

H. Wadepohl (wadepohl@uni-heidelberg.de) Tue Aug 5 07:58:11 2008

aflow
Tags for AFLOW high-throughput Density Functional Calculations

Michael Mehl (mmehl@usna.edu) 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 (rdowns@u.arizona.edu) Tue May 4 23:46:52 2010

anbf
Australian National Beamline Facility

James R Hester (jrh@anbf2.kek.jp) Fri Jul 21 03:01:35 2000

asd
Active Site Database

Alexei Adzhubei (aaa75196@ggr.co.uk) Thu Mar 18 08:50:51 1999

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

Joerg Kaercher (Joerg.Kaercher@bruker-axs.com) Thu Aug 2 20:36:13 2007

ccdc
Cambridge Crystallographic Data Centre

F.H. Allen (allen@ccdc.cam.ac.uk) Tue Aug 12 15:10:50 1997

cgraph
Oxford Cryosystems Crystallographica package

A. Renshaw (alex@cgraph.demon.co.uk) Tue Aug 12 15:06:18 1997

chimerax
Prefix for UCSF ChimeraX

Greg Couch (gregc@cgl.ucsf.edu) 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) (grazulis@ibt.lt) Wed Jan 21 08:10:08 2009

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

David J. Duchamp (djduchamp@aol.com) Sun Oct 7 15:18:11 2001

csd
Cambridge Structural Database

Frank H. Allen (allen@ccdc.cam.ac.uk) 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 (torbjorn.bjorkman@aalto.fi) Thu Apr 25 13:16:56 2013

ebi
macromolecular harvest deposition files

Kim Henrick (henrick@ebi.ac.uk) Tue Dec 9 16:03:35 1997

edchem
Our locally-invented cif names

Edinburgh University Chemistry (s.parsons@ed.ac.uk) 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 (R_Curtis_Haltiwanger@gsk.com) 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 (newman@ebi.ac.uk) 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 (ccunha@itqb.unl.pt) Wed Sep 17 16:35:43 2003

iucr
IUCr journal use

B. McMahon (bm@iucr.org) Tue Aug 12 15:08:27 1997

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

Fabrizio Ortu (fabrizio.ortu@manchester.ac.uk) Tue Sep 5 08:16:47 2017

mdb
Model Database, database of model structures of biological molecules

Alexei A. Adzhubei (aaa75196@ggr.co.uk) Thu Jan 7 10:29:17 1999

montpellier
Prefix for University of Montpellier internal CIF items

Arie van der Lee (avderlee@univ-montp2.fr) 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 (mkhorton@lbl.gov) Mon Aug 6 21:22:19 2018

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

Daniel Chateigner (daniel.chateigner@ensicaen.fr) Mon Dec 6 15:06:19 2010

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

Kim Henrick (henrick@ebi.ac.uk) Wed Sep 23 11:16:14 1998

ndb
Nucleic Acids Database Project, Rutgers University

John Westbrook (jwest@rcsb.rutgers.edu) 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 (fawzi.mohamed@fhi-berlin.mpg.de) Fri Oct 28 12:39:43 2016

nottingham
Prefix for University of Nottingham internal CIF items

Alexander J. Blake (a.j.blake@nottingham.ac.uk) Mon Jun 14 15:18:33 2010

oxford
Used in conjunction with the Oxford CRYSTALS program

David Watkin (david.watkin@chem.ox.ac.uk) 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 (merritt@u.washington.edu) 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 (yaya@bernstein-plus-sons.com) Wed Oct 29 10:44:22 1997

pdb
Protein Data Bank

John Westbrook (jwest@rcsb.rutgers.edu) Fri Oct 24 13:34:14 1997

pdbx
Protein Data Bank - exchange dictionary prefix

John Westbrook (jwest@rcsb.rutgers.edu) 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 (rjgildea@lbl.gov) Wed Oct 10 22:37:11 2012

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

Daniel Chateigner (daniel.chateigner@ensicaen.fr) Mon Dec 6 15:02:59 2010

publcif
Local items used by the publCIF editor

Simon P. Westrip (sw@publcif.co.uk) Mon Jun 13 13:48:10 2011

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

Saulius Grazulis (grazulis@ibt.lt) Wed Feb 22 07:36:20 2017

rayonix
Information specific to Rayonix (Mar USA) instruments

Michael Blum (blum@rayonix.com) Tue Sep 25 18:49:37 2007

rcsb
Research Collaboratory for Structural Bioinformatics

John Westbrook (jwest@rcsb.rutgers.edu) Thu Nov 25 13:15:00 1999

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

Algirdas Grybauskas (algirdas.grybauskas@gmc.vu.lt) Mon Jul 15 11:30:13 2019

shelx
SHELXL solution and refinement programs

G.M. Sheldrick (gsheldr@shelx.uni-ac.gwdg.de) 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) (grazulis@ibt.lt) Mon Feb 8 10:43:36 2016

sydney
Prefix for University of Sydney internal CIF items

William Lewis (w.lewis@sydney.edu.au) Mon Aug 6 06:38:39 2018

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

Saulius Grazulis (grazulis@ibt.lt) Fri May 17 14:58:47 2013

vrf
Validation Reply Form (IUCr/Acta C use)

Michael Hoyland (mh@iucr.org) Wed Jul 15 16:29:08 1998

wdc
Entries in the World Directory of Crystallographers

Brian McMahon (bm@iucr.org) Wed Sep 2 16:40:00 1998

xtal
Xtal program system

S.R. Hall (syd@crystal.uwa.edu.au) Tue Aug 12 15:12:01 1997
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