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CCDC Mercury (incl. enCIFer)

3.9

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This package was approved by moderator AdmiringWorm on 3/13/2017.

Mercury offers a comprehensive range of tools for 3D structure visualization and the exploration of crystal packing. With a long pedigree and over 10,000 downloads, Mercury is firmly established as the visualiser of choice within the crystallographic community.

With a vast number of options for customizing display settings Mercury is widely used for the generation of publication-quality images. A Style Manager contains a number of pre-defined display styles for work, publication and presentation and also provides the ability to preserve and share your own custom display settings. Stunning 3D images created using Mercury can be exported in a variety of common formats. In addition, it is possible to render high quality ray-traced images using POV-Ray.

Mercury is able to load structural data from a variety of formats and provides an extensive array of options to aid the investigation and analysis of crystal structures. Generate packing diagrams of any number of unit cells in any direction, define and visualise least-squares and Miller planes, and take a slice through a crystal in any direction. Simulated diffraction patterns can be calculated for any displayed crystal structure. Bravais, Friedel, Donnay and Harker (BFDH) theoretical crystal morphologies can also be viewed.

A unique and key feature of Mercury is the ability to locate and display hydrogen bonds, short non-bonded contacts, and user-specified types of contacts e.g. chlorine...oxygen contacts in the range 2-4Å. By building and exploring networks of intermolecular contacts you will gain an understanding of the key interactions that drive crystal packing.

Mercury is available as a free download. The version of Mercury provided to CSD System subscribers contains some extra functionality, only available to those with a CSD System licence. If your institution has one of these, you may obtain this functionality by registration

License Agreement

In order to download this version of Mercury, you must first read and accept the terms of the licence agreement.

Included software

The latest version of Mercury is only distributed with EnCIFer 1.5.2 incorperated, and the installer drops icons for both on the desktop. Version 1.5.2 of EnCIFer is not downloadable, installable nor uninstallable on its own. The stand-alone, previous version of enCIFer is here](https://chocolatey.org/packages/encifer)

To install CCDC Mercury (incl. enCIFer), run the following command from the command line or from PowerShell:

C:\> choco install ccdcmercury --version 3.9

To upgrade CCDC Mercury (incl. enCIFer), run the following command from the command line or from PowerShell:

C:\> choco upgrade ccdcmercury --version 3.9

Files

Hide
  • tools\chocolateyInstall.ps1 Show
    $PackageName = 'ccdcmercury'
    $Version     = '3.9'
    $url         = 'https://downloads.ccdc.cam.ac.uk/Mercury/3.9/mercurystandalone-3.9-windows-installer.exe'
    $Checksum    = '2a683404255bee05747e797816ea51bbae368c58f8201037fd6c4b47b416df20'
    
    $BitLevel = Get-ProcessorBits
    If ($BitLevel -eq '64') {
       $InstallDir = Join-Path ${env:ProgramFiles(x86)} "\CCDC\Mercury $Version"
    } else {
       $InstallDir = Join-Path $env:ProgramFiles "\CCDC\Mercury $Version"
    }
    
    $InstallArgs = @{
       packageName    = $PackageName
       installerType  = 'exe'
       url            = $url
       checkSum       = $Checksum
       silentArgs     = '--mode unattended --prefix "' + $InstallDir + '"'
       validExitCodes = @(0)
    }
    
    Install-ChocolateyPackage @InstallArgs
    
    

Virus Scan Results

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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

[Last updated 01 March 2016]

Major new features

New CSD-Community menu providing access to CSD Deposit and Access
Structures services online as well as the CSD Teaching Database,
enCIFer and CellCheckCSD.

New CSD-System menu providing access to searching in WebCSD and ConQuest
as well as integration of geometry analysis using Mogul and interaction
analysis using IsoStar.

CSD-Discovery menu extended to provide direct access to protein-ligand
docking using GOLD, analysis of protein-ligand interactions and flexible
overlay for multiple ligands.

CSD-Materials menu extended to provide direct access to solution of crystal
structures from powder diffraction data using DASH.

Changes - General

POV-Ray output now correctly honours the size, orientation, location,
colour and font of labels from Mercury

Version History

Version Downloads Last updated Status
CCDC Mercury (incl. enCIFer) 4.1.0 130 Saturday, March 16, 2019 approved
CCDC Mercury (incl. enCIFer) 3.10.3 223 Sunday, September 16, 2018 approved
CCDC Mercury (incl. enCIFer) 3.10.2 134 Friday, June 15, 2018 approved
CCDC Mercury (incl. enCIFer) 3.10.1 193 Monday, March 12, 2018 approved
CCDC Mercury (incl. enCIFer) 3.10 209 Friday, December 1, 2017 approved
CCDC Mercury (incl. enCIFer) 3.9.0.20170508 267 Monday, May 8, 2017 approved
CCDC Mercury (incl. enCIFer) 3.9 251 Friday, March 10, 2017 approved
CCDC Mercury 3.8 (incl. enCIFer 1.5.2) 3.8 332 Friday, May 6, 2016 approved

Discussion for the CCDC Mercury (incl. enCIFer) Package

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  • Tell us what you love about the package or CCDC Mercury (incl. enCIFer), or tell us what needs improvement.
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