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wiki.openchemistry.org

wiki.openchemistry.org

From wiki.openchemistry.org. The Open Chemistry project is a collection of open source, cross platform libraries and applications for the exploration, analysis and generation of chemical data. The project builds upon various efforts by collaborators and innovators in open chemistry such as the Blue Obelisk. If you would like to get involved the Open Chemistry. Projects use GitHub for code review, documentation for setting up the build. Process is available. We have established a Coding Style. Retrieved f...

http://wiki.openchemistry.org/

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wiki.openchemistry.org | wiki.openchemistry.org Reviews
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From wiki.openchemistry.org. The Open Chemistry project is a collection of open source, cross platform libraries and applications for the exploration, analysis and generation of chemical data. The project builds upon various efforts by collaborators and innovators in open chemistry such as the Blue Obelisk. If you would like to get involved the Open Chemistry. Projects use GitHub for code review, documentation for setting up the build. Process is available. We have established a Coding Style. Retrieved f...
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4 open babel
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8 coding conventions
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wiki.openchemistry.org | wiki.openchemistry.org Reviews

https://wiki.openchemistry.org

From wiki.openchemistry.org. The Open Chemistry project is a collection of open source, cross platform libraries and applications for the exploration, analysis and generation of chemical data. The project builds upon various efforts by collaborators and innovators in open chemistry such as the Blue Obelisk. If you would like to get involved the Open Chemistry. Projects use GitHub for code review, documentation for setting up the build. Process is available. We have established a Coding Style. Retrieved f...

INTERNAL PAGES

wiki.openchemistry.org wiki.openchemistry.org
1

Avogadro - wiki.openchemistry.org

http://wiki.openchemistry.org/Avogadro

From wiki.openchemistry.org. Avogadro is an open-source molecular editor. We are currently developing the next generation of the Avogadro application and libraries. The library component has now been split into several smaller, focused libraries with finer-grained dependencies so that rendering code can be used without required Qt, or general 2D widgets can be reused without requiring OpenGL. Refer to the build. Version 1.x is hosted here. And the source code is available on Github.

2

Changes related to "Main Page" - wiki.openchemistry.org

http://wiki.openchemistry.org/Special:RecentChangesLinked/Main_Page

Changes related to "Main Page". This is a list of changes made recently to pages linked from a specified page (or to members of a specified category). Pages on your watchlist. This edit created a new page (also see list of new pages. This is a minor edit. This edit was performed by a bot. The page size changed by this number of bytes. Changes in last 1. Show new changes starting from 10:38, 8 November 2016. Show changes to pages linked to the given page instead. Log in / create account with OpenID.

3

Recent changes - wiki.openchemistry.org

http://wiki.openchemistry.org/Special:RecentChanges

Track the most recent changes to the wiki on this page. This edit created a new page (also see list of new pages. This is a minor edit. This edit was performed by a bot. The page size changed by this number of bytes. Changes in last 1. Show new changes starting from 10:38, 8 November 2016. No changes during the given period matching these criteria. Retrieved from " http:/ wiki.openchemistry.org/Special:RecentChanges. Log in / create account with OpenID. About wiki.openchemistry.org.

4

Coding Style - wiki.openchemistry.org

http://wiki.openchemistry.org/Coding_Style

From wiki.openchemistry.org. This is an overview of the coding conventions we use when writing C code for the Open Chemistry projects. The style is based largely on the Qt. Inheritance and the "virtual" Keyword. 2 spaces are used for indentation. Spaces, not tabs! Keep lines of source code to less than 80 characters wide. Declare each variable on a separate line. Avoid abbreviations (e.g. "a", "nmbr") where possible. Wait until a variable is needed to declare it, don't keep unused ones around. Exception:...

5

Development - wiki.openchemistry.org

http://wiki.openchemistry.org/Development

From wiki.openchemistry.org. The Open Chemistry projects use git. For version control, and GitHub. Refer to the build. Page for details of setting up and building the Open Chemistry project. First you should go to GitHub. And set up an account, and fork the repository you would like to contribute to. Set up your profile. Upload your public SSH key (under SSH public keys). Ensure your name and email address are correct (under contact information). These details will be used later. This page was last modif...

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LINKS TO THIS WEBSITE

openchemistry.org openchemistry.org

Downloads | Open Chemistry

http://www.openchemistry.org/download

You can download the latest binaries here, or access the current development version using Git. This software may not be exported in violation of any U.S. export. Laws or regulations. For more information regarding Export. Matters please go to http:/ kitware.com/export. Avogadro2-0.9.0-win32.exe. Avogadro2-0.9.0-Darwin.dmg. Avogadrolibs-0.9.0.tar.gz. Avogadroapp-0.9.0.tar.gz. MoleQueue-0.7.1-win32.exe. MoleQueue-0.7.1-Darwin.dmg. Molequeue-0.7.1.tar.gz. MongoChem-0.5.0-win32.exe.

openchemistry.org openchemistry.org

MongoChem | Open Chemistry

http://www.openchemistry.org/projects/mongochem

MongoChem has been developed to make it easier for individuals, groups and organizations to collect and search their small molecule data sets. It is a cross-platform, open-source application that builds on the capabilities of the Visualization Toolkit ( VTK. In addition to the desktop client there is a MongoChemWeb prototype that exposes some of the same data to the web, using VTKWeb and Tangelo to display/share the same data that the desktop application interacts with. The demo is currently live.

openchemistry.org openchemistry.org

Documentation | Open Chemistry

http://www.openchemistry.org/documentation

API documentation is generated nightly for all of our projects, and can be found at the links provides below. Avogadro 2: http:/ doc.openchemistry.org/avogadrolibs/api/. MoleQueue: http:/ doc.openchemistry.org/molequeue/api/. MongoChem: http:/ doc.openchemistry.org/mongochem/api/. Website license and management.

openchemistry.org openchemistry.org

About | Open Chemistry

http://www.openchemistry.org/about

These resources provide general information about the Open Chemistry project. Website license and management.

openchemistry.org openchemistry.org

License | Open Chemistry

http://www.openchemistry.org/licensing

The Open Chemistry project, and its subprojects, are licensed under the permissive 3-clause BSD license. It allows unrestricted use, including in commercial products. This is an OSI approved license, with a copy shown below for reference. Neither the name of Kitware nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. Website license and management.

openchemistry.org openchemistry.org

Avogadro 2 | Open Chemistry

http://www.openchemistry.org/projects/avogadro2

Avogadro 2 is a chemical editor and visualization application, it is also a set of reusable software libraries written in C using principles of modularity for maximum reuse. The development of the first generation Avogadro application and library is documented in our paper. And this remains the preferred method of citation at present. The motivation for rewriting Avogadro, along with improvements and changes made in Avogadro 2 are summarized in our Source article. Website license and management.

openchemistry.org openchemistry.org

Publications | Open Chemistry

http://www.openchemistry.org/publications

If you are working with Avogadro, and need to reference it please use:. M D Hanwell, D. E. Curtis, D. C. Lonie, T. Vandermeersch, E. Zurek, and G. R. Hutchison, Avogadro: An Advanced Semantic Chemical Editor, Visualization, and Analysis Platform. J Chem. Inf., 4 (17), (2012). Another recent publication that might be of interest is:. W A de Jong, A. M. Walker, M. D. Hanwell, From Data to Analysis: Linking NWChem and Avogadro with the Syntax and Semantics of Chemical Markup Language.

openchemistry.org openchemistry.org

Mailing Lists | Open Chemistry

http://www.openchemistry.org/mailing-lists

Mailing lists are used by developers and users to communicate information about the projects. To join the lists go to the following locations and follow the instructions there:. List is open to the public. Use this list to post general questions, post bug reports or offer suggestions to improve Open Chemistry. List is for developers. Use this list if you are interested in developing and contributing. Mailing list can be used to post general questions about MoleQueue use, development and contribution.

openchemistry.org openchemistry.org

Gallery | Open Chemistry

http://www.openchemistry.org/gallery

Large GROMACS structure (over 2.8 million atoms) in Avogadro 2. Avogadro 2 showing molecular surfaces, volume rendering, ambient occlusion. Octanitrocubane saved by Avogadro 2. Avogadro 2 showing multimolecule and multiwidget capabilities. Avogadro showing QTAIM visualization. Avogadro 2 showing ambient occlusion rendering. Molecular orbitatal isosurface from quantum calculation. Molecular orbital visualization in ethane. Bond-centric manipulation of a molecule in Avogadro 2. Periodic table in Avogadro 2.

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From wiki.openchemistry.org. The Open Chemistry project is a collection of open source, cross platform libraries and applications for the exploration, analysis and generation of chemical data. The project builds upon various efforts by collaborators and innovators in open chemistry such as the Blue Obelisk. If you would like to get involved the Open Chemistry. Projects use GitHub for code review, documentation for setting up the build. Process is available. We have established a Coding Style. Retrieved f...

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