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CIF Software

Displaying 61 - 78 of 78
  • printCIF for Word

    for visualizing and preparing for publication structure reports submitted to IUCr journals in Word format

    Maintenance Status: Archive

    Asset ID: 18063

  • publBio

    tools and a workspace to prepare the text, experimental data tables, and figures for a structural biology or crystallization communication

    Maintenance Status: Active

  • publCIF

    publCIF takes a crystallographic information file (CIF) and prepares a formatted paper (Preprint) in the style of Acta Crystallographica Sections C and E, and IUCrData.

    Maintenance Status: Active

    Asset ID: 157188

    Bibliographic Reference: Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925 [https://doi.org/10.1107/S0021889810022120]

    DOI: https://doi.org/10.1107/S0021889810022120

    Submitter: Simon Westrip

  • PyCifRW

    provides comprehensive support for reading, writing and validating CIF using Python

    Maintenance Status: Active

    Asset ID: 18017

  • pycodcif

    Python interface to COD::CIF::Parser for detecting and reporting the most common CIF syntax errors, developed by the team of Crystallography Open Database developers

    Maintenance Status: Active

  • QUASAR

    CIF syntax checking and file manipulation tool

  • RASMOL

    molecular graphics visualisation tool

    Application Area: Biology, Graphics, Virtual reality, Visualization

    Maintenance Status: Active

    Asset ID: 50428

  • Star_Base

    Stand-alone application for performing database-style queries on arbitrary STAR Files while preserving context as well as values.

  • STAR::PARSER

    Set of Perl modules for parsing STAR-compliant data files and dictionaries, including CIF and mmCIF, together with example scripts.

  • StarDOM

    software package to transform data provided in the Self Defining Text Archival and Retrieval (STAR) format into XML

    Maintenance Status: Active

  • Syntax test suite for CIF

    Small suite of test files conforming (or not) to STAR/CIF syntax rules and designed as an aid to parser development

  • vcif version 0.58

    Maintenance Status: Archive

  • vcif version 1.2.2

    vcif is a simple syntax checker for files in CIF format, including data and dictionary files. It may be used to scan any text file and outputs informative messages about apparent errors in CIF syntax.

    Application Area: Databases

    Maintenance Status: Archive

    Asset ID: 58729

    Bibliographic Reference: McMahon, B. (2006). International Tables for Crystallography, Vol. G, ch. 5.3, pp. 499-501.

    DOI: https://doi.org/10.1107/97809553602060000753

    Submitter: Brian McMahon

  • VCIF2

    vcif2 is an extended version of vcif, the syntax checker for files in CIF format. vcif2 will verify compliance with CIF 1.0, CIF 1.1 or mmCIF file formats; and will accept an arbitrary list of layered DDL1 and DDL2 dictionaries against which units, enumerations, parent-child relationships and category integrity will be checked.

    Application Area: Databases

    Maintenance Status: Active

    Asset ID: 58733

    Bibliographic Reference: Todorov, G. & Bernstein, H. J. (2008). J. Appl. Cryst. 41, 808-810.

    DOI: https://doi.org/10.1107/S002188980801385X

    Submitter: Brian McMahon

  • vscode-cif

    CIF for Visual Studio Code is an extension that adds support for CIF (Crystallographic Information File) to VS Code. Features: syntax highlighting; completion and validation for names; hover over value to see corresponding _key and data_. Known errors: all dictionaries are not yet supported so there may be unnecessary warnings.

    Application Area: Data analysis, Other

    Maintenance Status: Active

    Asset ID: 157046

    Submitter: Heikki Kainulainen

  • Xtal

    Package of 60 programs oriented towards small molecule automated structure solution, refinement, visualization, preparing publication quality tables and ORTEPs, CIF reading and writing. Additional leanings towards high precision charge density work - atomic charge calculations, contour and electric field maps +powder pattern calculation and visualization. Developed at the University of Western Australia.

    Application Area: Chemistry

    Maintenance Status: Active

    Asset ID: 53381

  • Xtools

    Fortran programs to support the development and maintenance of STAR dictionaries written in the dictionary language DDLm. N.B. This is not fully compatible with the current DDLm specifications, but may be a useful starting point for developing in a Fortran environment.

  • ZINC

    interface to CIF for standard Unix tools

    Maintenance Status: Archive

    Asset ID: 17927