publCIF is a software tool designed for creating, editing, and validating crystallographic information files (CIFs) used in journal publications. It validates CIF syntax and data attributes through internal routines and provides a web interface to the checkCIF service of the International Union of Crystallography (IUCr), which performs a full crystallographic analysis of structural data. The tool offers a graphical interface for editing CIFs in both 'raw' ASCII format and a formatted structure report, as well as convenience tools like spreadsheet representations of looped data. Beyond file validation, publCIF provides resources to assist in preparing structure reports, including databases of author details, experimental data, and standard references. It also includes tools for reference parsing, spell checking, structure visualization, and image management.
publCIF was commissioned by the IUCr as free software for authors and as a tool for in-house journal production. It is available for Linux, macOS, and Windows. The software includes a dual editing interface: a 'raw' ASCII CIF editor and a word-processing environment. Context-sensitive menus provide access to CIF dictionary data, while publication 'wizards' facilitate data input. CIF syntax and data validation are employed throughout, much of it 'as you type'.
The preprint window presents a formatted document in a basic word-processing environment, allowing users to write and edit the main text sections of the paper. Tables of experimental data are synthesized from individual data items in the CIF and appear in the preprint window. The CIF window displays the CIF as a raw ASCII file and provides access to item-specific information via a context-sensitive right-mouse-button menu. Whenever the CIF window is clicked or edited, publCIF attempts to identify the relevant data item and validate it against a CIF dictionary, as well as check the syntax of the data structure. Any problems are reported in a status bar at the bottom of the main interface.
publCIF includes syntax checking using the external program vcif, dictionary checking, and data validation by checkCIF. It also provides publication-oriented validation, including checking that citations in the text match entries in the reference list. The software includes resource management features, such as maintaining a database of author details and managing citations. It also allows for the preview and management of graphical images associated with CIFs, and provides structure visualization using Jmol.
publCIF is used in-house by the IUCr for editing CIF-based articles and generating SGML, HTML, and PDF output. It is subject to ongoing development to reflect changes in publication requirements and to improve the tool. The public version of publCIF is optimized for use with single-crystal and powder CIFs that describe small-molecule or inorganic structures and is tailored to the publication requirements of Acta Crystallographica Sections C and E. However, the program is able to generate output for other publication purposes and not only for the aforementioned disciplines. ThepublCIF is a software tool designed for creating, editing, and validating crystallographic information files (CIFs) used in journal publications. It validates CIF syntax and data attributes through internal routines and provides a web interface to the checkCIF service of the International Union of Crystallography (IUCr), which performs a full crystallographic analysis of structural data. The tool offers a graphical interface for editing CIFs in both 'raw' ASCII format and a formatted structure report, as well as convenience tools like spreadsheet representations of looped data. Beyond file validation, publCIF provides resources to assist in preparing structure reports, including databases of author details, experimental data, and standard references. It also includes tools for reference parsing, spell checking, structure visualization, and image management.
publCIF was commissioned by the IUCr as free software for authors and as a tool for in-house journal production. It is available for Linux, macOS, and Windows. The software includes a dual editing interface: a 'raw' ASCII CIF editor and a word-processing environment. Context-sensitive menus provide access to CIF dictionary data, while publication 'wizards' facilitate data input. CIF syntax and data validation are employed throughout, much of it 'as you type'.
The preprint window presents a formatted document in a basic word-processing environment, allowing users to write and edit the main text sections of the paper. Tables of experimental data are synthesized from individual data items in the CIF and appear in the preprint window. The CIF window displays the CIF as a raw ASCII file and provides access to item-specific information via a context-sensitive right-mouse-button menu. Whenever the CIF window is clicked or edited, publCIF attempts to identify the relevant data item and validate it against a CIF dictionary, as well as check the syntax of the data structure. Any problems are reported in a status bar at the bottom of the main interface.
publCIF includes syntax checking using the external program vcif, dictionary checking, and data validation by checkCIF. It also provides publication-oriented validation, including checking that citations in the text match entries in the reference list. The software includes resource management features, such as maintaining a database of author details and managing citations. It also allows for the preview and management of graphical images associated with CIFs, and provides structure visualization using Jmol.
publCIF is used in-house by the IUCr for editing CIF-based articles and generating SGML, HTML, and PDF output. It is subject to ongoing development to reflect changes in publication requirements and to improve the tool. The public version of publCIF is optimized for use with single-crystal and powder CIFs that describe small-molecule or inorganic structures and is tailored to the publication requirements of Acta Crystallographica Sections C and E. However, the program is able to generate output for other publication purposes and not only for the aforementioned disciplines. The