Software tools and services available for CIF
CIF Validation Tools
- vcif, a CIF syntax checker
- QUASAR, a CIF
syntax checking and file manipulation tool (33560 bytes)
-
CYCLOPS2, checks apparent data names in text files against their
occurrence in one or more CIF dictionaries (requires
CIFtbx2)
Graphical editors
-
enCIFer,
from the Cambridge Crystallographic Data Centre.
Graphical editor tool for single or multi-block CIFs featuring:
- Location and reporting of syntax/format violations using the
current CIF core dictionary
- Correction of syntax/format violations
- Editing of existing individual data items or looped data items
- Addition of new individual data items or looped data items
- Addition of certain standard additional information via two data
entry wizards:
- Publication wizard - basic bibliographic information required by
most journals and databases that accept CIF deposition documents
- Data wizard - chemical, physical and crystallographic property
information that enhances a CIF for journal or database deposition
- 3D visualisation of structure(s) in a CIF
- CIFEDIT
was created to view and edit CIFs, with particular emphasis on files that
contain multiple blocks, which are quite important in pdCIF. For
DDL 1.4 version dictionaries, CIFEDIT can use information from the
dictionaries to validate CIF data items, as well as display the
definitions for these items. The program is distributed as
part of the NCNR CIFTOOLS
and runs on Windows, MacOS (OSX) and virtually all Unix and Linux
platforms.
Software Libraries for Manipulating and Validating CIFs
- Converting Fortran Applications
for Use with CIF
- CIFtbx
Version 3.0.1, a Fortran toolbox and dictionary checker conformant
to the CIF 1.1 specification. Updates CIFtbx2
- CIFtbx2
Version 2.6.4
(including CYCLOPS2), a Fortran toolbox and dictionary checker capable of
working with DDL1 and DDL2 compliant CIFs and dictionaries. Replaces:
- CYCLOPS, a CIF
dataname checker (against the original Core CIF dictionary only)
- CIFtbx, a toolbox
of Fortran routines for handling CIF data
- The mmCIF/DDL2 libraries produced by the Nucleic Acid Database Project
at Rutgers University, New Jersey. Comprises:
- CIFLIB - a C
Language application progam interface
- CIFPARSE
- a library of access tools for mmCIF
- CIFOBJ - a
class library of mmCIF dictionary access tools
Visualisation Tools
- Mercury,
from the Cambridge Crystallographic Data Centre, allows visualisation and
exploration of crystal structures from CIFs and other formats, as well
as from the Crystal Structure Database. Available for Windows, Linux Intel,
Solaris and SGI Irix platforms.
- RasMol, a visualisation
program for macromolecules and small molecules for Unix,
VMS, Windows and Mac platforms
- The pdCIFplot
program is used to display powder diffraction data and optionally
Rietveld fits reported in CIF format. The program is distributed as
part of the NCNR CIFTOOLS
and runs on Windows, MacOS (OSX) and virtually all Unix and Linux
platforms.
- Ciffilter, a utility
for viewing online CIFs. Requires
Xtal_GX and
Tcl/Tk
- ORTEP-3 for Windows (L. Farrugia, U. Glasgow)
- PLATON for Windows (L. Farrugia, U. Glasgow)
Conversion Utilities
- printCIF for
Word, an embedded Visual Basic application suitable for CIF editing and
formatting within a familiar PC-based word processing environment.
- cif2sx, a
CIF to SHELXL93 converter.
- DIFRAC, a
package for translating diffractometer output from many systems to CIF.
- pdb2cif
Version 2.3.7, a
filter for translating PDB format files to mmCIF.
- cif2pdb
Version 1.0.1, a
filter for translating mmCIF to PDB format.
Validation Utilities
Miscellaneous
- Information on using
checkcif and printcif,
e-mail interfaces to the IUCr CIF checking and typesetting facilities
for prospective authors to Acta Crystallographica
- CIFtex, the IUCr
typesetting tool (compressed tar archive for Unix: 304630 bytes) [this requires
QUASAR and
TeX]
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