Downloads:
6,232
Downloads of v 2020.2:
783
Last Update:
12 Sep 2020
Package Maintainer(s):
Software Author(s):
- Cambridge Crystallographic Data Centre
Tags:
ccdcmercury ccdc mercury crystallography chemistry encifer crystal admin- Software Specific:
- Software Site
- Software License
- Software Docs
- Software Mailing List
- Package Specific:
- Package Source
- Package outdated?
- Package broken?
- Contact Maintainers
- Contact Site Admins
- Software Vendor?
- Report Abuse
- Download
CCDC Mercury (incl. enCIFer)
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2020.2 | Updated: 12 Sep 2020
- Software Specific:
- Software Site
- Software License
- Software Docs
- Software Mailing List
- Package Specific:
- Package Source
- Package outdated?
- Package broken?
- Contact Maintainers
- Contact Site Admins
- Software Vendor?
- Report Abuse
- Download
Downloads:
6,232
Downloads of v 2020.2:
783
Maintainer(s):
Software Author(s):
- Cambridge Crystallographic Data Centre
CCDC Mercury (incl. enCIFer) 2020.2
Legal Disclaimer: Neither this package nor Chocolatey Software, Inc. are affiliated with or endorsed by Cambridge Crystallographic Data Centre. The inclusion of Cambridge Crystallographic Data Centre trademark(s), if any, upon this webpage is solely to identify Cambridge Crystallographic Data Centre goods or services and not for commercial purposes.
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This Package Contains an Exempted Check
Not All Tests Have Passed
Deployment Method: Individual Install, Upgrade, & Uninstall
To install CCDC Mercury (incl. enCIFer), run the following command from the command line or from PowerShell:
To upgrade CCDC Mercury (incl. enCIFer), run the following command from the command line or from PowerShell:
To uninstall CCDC Mercury (incl. enCIFer), run the following command from the command line or from PowerShell:
Deployment Method:
This applies to both open source and commercial editions of Chocolatey.
1. Enter Your Internal Repository Url
(this should look similar to https://community.chocolatey.org/api/v2/)
2. Setup Your Environment
1. Ensure you are set for organizational deployment
Please see the organizational deployment guide
2. Get the package into your environment
Option 1: Cached Package (Unreliable, Requires Internet - Same As Community)-
Open Source or Commercial:
- Proxy Repository - Create a proxy nuget repository on Nexus, Artifactory Pro, or a proxy Chocolatey repository on ProGet. Point your upstream to https://community.chocolatey.org/api/v2/. Packages cache on first access automatically. Make sure your choco clients are using your proxy repository as a source and NOT the default community repository. See source command for more information.
- You can also just download the package and push it to a repository Download
-
Open Source
-
Download the package:
Download - Follow manual internalization instructions
-
-
Package Internalizer (C4B)
-
Run: (additional options)
choco download ccdcmercury --internalize --source=https://community.chocolatey.org/api/v2/
-
For package and dependencies run:
choco push --source="'INTERNAL REPO URL'"
- Automate package internalization
-
Run: (additional options)
3. Copy Your Script
choco upgrade ccdcmercury -y --source="'INTERNAL REPO URL'" [other options]
See options you can pass to upgrade.
See best practices for scripting.
Add this to a PowerShell script or use a Batch script with tools and in places where you are calling directly to Chocolatey. If you are integrating, keep in mind enhanced exit codes.
If you do use a PowerShell script, use the following to ensure bad exit codes are shown as failures:
choco upgrade ccdcmercury -y --source="'INTERNAL REPO URL'"
$exitCode = $LASTEXITCODE
Write-Verbose "Exit code was $exitCode"
$validExitCodes = @(0, 1605, 1614, 1641, 3010)
if ($validExitCodes -contains $exitCode) {
Exit 0
}
Exit $exitCode
- name: Install ccdcmercury
win_chocolatey:
name: ccdcmercury
version: '2020.2'
source: INTERNAL REPO URL
state: present
See docs at https://docs.ansible.com/ansible/latest/modules/win_chocolatey_module.html.
chocolatey_package 'ccdcmercury' do
action :install
source 'INTERNAL REPO URL'
version '2020.2'
end
See docs at https://docs.chef.io/resource_chocolatey_package.html.
cChocoPackageInstaller ccdcmercury
{
Name = "ccdcmercury"
Version = "2020.2"
Source = "INTERNAL REPO URL"
}
Requires cChoco DSC Resource. See docs at https://github.com/chocolatey/cChoco.
package { 'ccdcmercury':
ensure => '2020.2',
provider => 'chocolatey',
source => 'INTERNAL REPO URL',
}
Requires Puppet Chocolatey Provider module. See docs at https://forge.puppet.com/puppetlabs/chocolatey.
4. If applicable - Chocolatey configuration/installation
See infrastructure management matrix for Chocolatey configuration elements and examples.
Private CDN cached downloads available for licensed customers. Never experience 404 breakages again! Learn more...
This package was approved as a trusted package on 20 Nov 2024.
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.
IMPORTANT: Mercury and EnCIFer now require activation in order to be used. This can be performed for free using the included CCDC Activator tool and selecting the CSD-Community option. You can also activate with a CSD System licence if you have one.
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)
$ErrorActionPreference = 'Stop'
$packageArgs = @{
packageName = $env:ChocolateyPackageName
softwareName = 'Mercury'
fileType = 'EXE'
silentArgs = '--mode unattended'
validExitCodes= @(0)
}
[array]$key = Get-UninstallRegistryKey -SoftwareName $packageArgs['softwareName']
if ($key.Count -eq 1) {
$packageArgs['file'] = $key[0].UninstallString
Uninstall-ChocolateyPackage @packageArgs
} elseif ($key.Count -eq 0) {
Write-Warning "$env:ChocolateyPackageName has already been uninstalled by other means."
} elseif ($key.Count -gt 1) {
Write-Warning "$($key.Count) matches found!"
Write-Warning "To prevent accidental data loss, no programs will be uninstalled."
Write-Warning "Please alert package maintainer the following keys were matched:"
$key | % {Write-Warning "- $($_.DisplayName) $($_.DisplayVersion)"}
}
Log in or click on link to see number of positives.
- ccdcmercury.2020.2.nupkg (213949b94973) - ## / 62
In cases where actual malware is found, the packages are subject to removal. Software sometimes has false positives. Moderators do not necessarily validate the safety of the underlying software, only that a package retrieves software from the official distribution point and/or validate embedded software against official distribution point (where distribution rights allow redistribution).
Chocolatey Pro provides runtime protection from possible malware.
Add to Builder | Version | Downloads | Last Updated | Status |
---|---|---|---|---|
CCDC Mercury (incl. enCIFer) 2020.2 | 783 | Saturday, September 12, 2020 | Approved | |
CCDC Mercury (incl. enCIFer) 2020.1 | 247 | Thursday, May 14, 2020 | Approved | |
CCDC Mercury (incl. enCIFer) 4.3.1 | 320 | Tuesday, March 10, 2020 | Approved | |
CCDC Mercury (incl. enCIFer) 4.3.0 | 316 | Friday, December 20, 2019 | Approved | |
CCDC Mercury (incl. enCIFer) 4.2.0 | 298 | Saturday, September 14, 2019 | Approved | |
CCDC Mercury (incl. enCIFer) 4.1.3 | 412 | Saturday, June 29, 2019 | Approved | |
CCDC Mercury (incl. enCIFer) 4.1.2 | 248 | Saturday, June 1, 2019 | Approved | |
CCDC Mercury (incl. enCIFer) 4.1.0 | 386 | Saturday, March 16, 2019 | Approved | |
CCDC Mercury (incl. enCIFer) 3.10.3 | 461 | Sunday, September 16, 2018 | Approved | |
CCDC Mercury (incl. enCIFer) 3.10.2 | 342 | Friday, June 15, 2018 | Approved | |
CCDC Mercury (incl. enCIFer) 3.10.1 | 423 | Monday, March 12, 2018 | Approved | |
CCDC Mercury (incl. enCIFer) 3.10 | 457 | Friday, December 1, 2017 | Approved | |
CCDC Mercury (incl. enCIFer) 3.9.0.20170508 | 488 | Monday, May 8, 2017 | Approved | |
CCDC Mercury (incl. enCIFer) 3.9 | 464 | Friday, March 10, 2017 | Approved | |
CCDC Mercury 3.8 (incl. enCIFer 1.5.2) 3.8 | 587 | Friday, May 6, 2016 | Approved |
Copyright © 2015 Cambridge Crystallographic Data Centre
At the end of the help documentation.
-
- vcredist2013 (≥ 12.0.30501)
Ground Rules:
- This discussion is only about CCDC Mercury (incl. enCIFer) and the CCDC Mercury (incl. enCIFer) package. If you have feedback for Chocolatey, please contact the Google Group.
- This discussion will carry over multiple versions. If you have a comment about a particular version, please note that in your comments.
- The maintainers of this Chocolatey Package will be notified about new comments that are posted to this Disqus thread, however, it is NOT a guarantee that you will get a response. If you do not hear back from the maintainers after posting a message below, please follow up by using the link on the left side of this page or follow this link to contact maintainers. If you still hear nothing back, please follow the package triage process.
- Tell us what you love about the package or CCDC Mercury (incl. enCIFer), or tell us what needs improvement.
- Share your experiences with the package, or extra configuration or gotchas that you've found.
- If you use a url, the comment will be flagged for moderation until you've been whitelisted. Disqus moderated comments are approved on a weekly schedule if not sooner. It could take between 1-5 days for your comment to show up.