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CCDC enCIFer 1.5.1 Windows

1.5.1

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This package was approved by moderator dtgm on 5/9/2016.

The Crystallographic Information File (CIF) is the internationally agreed standard file format for information exchange in crystallography. The CIF standard is supported, maintained and developed by the International Union of Crystallography (IUCr) and most major journals require electronic data depositions in CIF format.

enCIFer enables users to validate CIFs and ensure their files are format-compliant for deposition with journals and databases or for storage in laboratory archives. enCIFer should also be used to add information safely to CIFs without corrupting the strict syntax.

enCIFer operates on single or multi-block CIFs allowing you to:

  • Identify and correct syntax/format violations
  • Safely edit information to your CIF without corrupting the strict syntax, for both single data items and data loops
  • Supplement the data in your CIF via two data entry wizards, one for publication details and the other for chemical, physical and crystallographic properties
  • Select from a choice of CIF dictionaries and check against a user-customisable list of mandatory data items
  • Visualise structure(s) in a CIF, including displacement ellipsoids

License Agreement

enCIFer is available to the scientific community free of charge. In order to download this version of enCIFer, you must first read and accept the terms of the licence agreement (copied from a modal dialog for accessibility).

To install CCDC enCIFer 1.5.1 Windows, run the following command from the command line or from PowerShell:

C:\> choco install encifer

To upgrade CCDC enCIFer 1.5.1 Windows, run the following command from the command line or from PowerShell:

C:\> choco upgrade encifer

Files

Hide
  • tools\chocolateyInstall.ps1 Show
    $InstallArgs = @{
       packageName = 'encifer'
       installerType = 'exe'
       url = 'https://downloads.ccdc.cam.ac.uk/enCIFer/1.5/encifer-1.5.1-windows-installer.exe'
       silentArgs = '--mode unattended --prefix "C:\Program Files (x86)\CCDC\enCIFer 1.5.1"'
       validExitCodes = @(0)
    }
    
    Install-ChocolateyPackage @InstallArgs
    
    
  • tools\chocolateyUninstall.ps1 Show
    $RegistryLocation = 'HKLM:\Software\Microsoft\Windows\CurrentVersion\Uninstall'
    
    # different key for 32-bit installs on 64-bit systems
    $BitLevel = Get-ProcessorBits
    If ($BitLevel -eq '64') {
       $RegistryLocation = 'HKLM:\Software\Wow6432Node\Microsoft\Windows\CurrentVersion\Uninstall'
    }
    
    $unexe = Get-ItemProperty "$RegistryLocation\*" | 
                         Where-Object { $_.displayname -match 'encifer'} |
                         Select-Object -ExpandProperty UninstallString
    
    
    $UninstallArgs = @{
       packageName = 'encifer'
       fileType = 'exe'
       file = $unexe
       silentArgs = '--mode unattended'
       validExitCodes = @(0)
    }
    
    Uninstall-ChocolateyPackage @UninstallArgs
    
    Remove-Item (Split-Path $unexe) -Recurse -Force
    
    
    
    
  • enCIFer1.5.1WindowsLicense.md Show
    In order to download this version of enCIFer, you must first read and accept the terms of the following licence agreement:
    
    enCIFer, including its associated documentation and command procedures, (the "Program") is a copyright work belonging to the Cambridge Crystallographic Data Centre ("CCDC") and its licensors In consideration of the access to the Program granted you, you agree to download and use the Program solely in accordance with the following terms.
    
    You are permitted to download and to use a single copy of the Program solely for internal research, development or teaching purposes and for no other purpose whatsoever. Within 14 days of permanently discontinuing use of the Program you agree to delete all copies of the downloaded Program from your computers and storage systems.
    
    You may not supply, assign, transfer or sublicense (in whole or part) the Program to any third party as part of a commercial transaction or for any consideration, in money, money's worth or otherwise, or free of charge. The Program shall only be accessible to your employees.
    
    You may not bundle this Program together with any other software product or products without the prior written consent of CCDC.
    
    You may copy the Program only to the extent strictly necessary for backup purposes. Subject thereto or as otherwise expressly permitted by applicable law, you may not copy, reproduce, translate, adapt, decompile, modify, reverse engineer or disassemble the Program. You shall ensure at all times that all copies of the Program made by you contain the copyright notice issued by CCDC and contained in the Program. You shall not amend or obscure this notice or any logos or trademarks of CCDC contained in the Program.
    
    THE PROGRAM IS SUPPLIED TO YOU WITHOUT CHARGE, AND ACCORDINGLY YOU AGREE THAT THE PROGRAM IS PROVIDED ON AN *AS IS* BASIS, AND NO REPRESENTATION IS MADE OR WARRANTY GIVEN, WHETHER WITH REGARD TO THE FUNCTIONALITY OR FITNESS FOR PURPOSE OF THE PROGRAM OR OTHERWISE, AND ALL SUCH REPRESENTATIONS AND WARRANTIES, WHETHER EXPRESSED OR IMPLIED (BY LAW OR OTHERWISE) ARE HEREBY EXCLUDED TO THE FULLEST EXTENT PERMITTED BY LAW. WITHOUT PREJUDICE TO THE FOREGOING IN NO EVENT SHALL CCDC BE LIABLE TO YOU, IN CONTRACT, IN TORT OR OTHERWISE, FOR ANY INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY OR CONSEQUENTIAL LOSS OR DAMAGE, INCLUDING, WITHOUT LIMITATION, ADMINISTRATION COSTS, LOSS OF BUSINESS AND GOODWILL, LOSS UNDER CURRENT AND FUTURE CONTRACTS, LOSS OF PROFIT OR OPPORTUNITY OR FINANCIAL LOSS OF ANY KIND ARISING IN ANY WAY OUT OF OR IN CONNECTION WITH YOUR USE OF THE PROGRAM.
    
    You agree to minimise any adverse effect of downloading and using the Program, including by keeping back up data and implementing adequate disaster recovery procedures. Accordingly, CCDC shall be in no manner liable for any effect which the Program may have on your data, software, hardware or other systems or products.
    
    No amendment, variation or discharge of these terms and conditions is valid unless accepted in writing by both parties.
    
    The failure of either party to exercise or enforce any rights under these terms and conditions shall not amount to a waiver of those rights.
    
    The illegality or invalidity of any part of these terms and conditions shall not affect the legality or validity of the remainder of them.
    
    These terms and conditions are not intended to confer rights on any third party, whether pursuant to the Contracts (Rights of Third Parties) Act 1999 or otherwise, and no third party shall have any right to enforce any provision of these terms and conditions.
    
    The foregoing terms and conditions and any dispute in connection with them shall be governed by and construed in accordance with English law and shall be subject to the exclusive jurisdiction of the English courts. ‚Äč
    

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Dependencies

Package Maintainer(s)

Software Author(s)

  • Cambridge Crystallographic Data Centre

Copyright

Copyright © 2015 Cambridge Crystallographic Data Centre

Tags

Release Notes

Encifer 1.5.1 - Released: November 2014

  • CIF Validation and File Handling

    • Updated to the latest CIF core dictionary from IUCr.

Encifer 1.5 - Released: July 2014

  • CIF Validation and File Handling

    • Support for file names containing 'extended' characters

    • Updated to the latest CIF dictionaries from IUCr.

    • Added SHELX data items to cifthirdparty.dic

    • Added twinning dictionary

    • Warn user when opening an mmCIF

    • Support for line continuation convention within semicolon delimited values

    • Improved validation of numeric fields

  • Visualiser

    • Update for new space group item names when visualising structures

    • The 3D drawing engine has been completely re-written, for better

    • display quality and performance.

    • Improved ease of atom picking in both wireframe and capped sticks modes

    • Improved visualisation of highly anisotropic displacement ellipsoids

    • Resolved an issue with graphical corruption with some graphics cards on Mac OSX

    • Resolved issue with crashes with certain high-end NVidia Quadro graphics cards

Version History

Version Downloads Last updated Status

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