openchemistry.org

Open Chemistry

Open Chemistry in Google Summer of Code! The Open Chemistry project offers a suite of permissively licensed cross-platform tools that provide reusable libraries and end-user applications for computational chemistry, materials science, and related areas. Offers services to help you best leverage the Open Chemistry suite. Discover how we can work together to advance your research. Google Summer of Code. Tomviz offers a desktop application for the processing, visualization, and analysis of 3D tomographic da...

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Open Chemistry | openchemistry.org Reviews

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Open Chemistry in Google Summer of Code! The Open Chemistry project offers a suite of permissively licensed cross-platform tools that provide reusable libraries and end-user applications for computational chemistry, materials science, and related areas. Offers services to help you best leverage the Open Chemistry suite. Discover how we can work together to advance your research. Google Summer of Code. Tomviz offers a desktop application for the processing, visualization, and analysis of 3D tomographic da...

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7 mongochem

8 documentation

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Open Chemistry | openchemistry.org Reviews

https://openchemistry.org

Open Chemistry in Google Summer of Code! The Open Chemistry project offers a suite of permissively licensed cross-platform tools that provide reusable libraries and end-user applications for computational chemistry, materials science, and related areas. Offers services to help you best leverage the Open Chemistry suite. Discover how we can work together to advance your research. Google Summer of Code. Tomviz offers a desktop application for the processing, visualization, and analysis of 3D tomographic da...

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projects.openchemistry.org

OpenChemistry

Project management, feature and issue tracking for the Open Chemistry. Projects. Please see our development guide. For details on contributing to our projects, and report bugs or feature requests here. The Open Chemistry project, the superbuild and the parent of the chemistry projects.

data.openchemistry.org

MongoChemWeb

Developed as part of the Open Chemistry. Project. All data is CC-BY-SA. The Clean Energy Project.

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...

cdash.openchemistry.org

CDash - Continuous Integration Made Easy

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Desktop integration of high performance computing resources, as well as easy local execution of batch oriented jobs. Qt MongoDB desktop cheminformatics application. SuperBuild for all the openchemistry.org projects. Show all 7 projects.

INTERNAL PAGES

openchemistry.org

1

MoleQueue | Open Chemistry

https://www.openchemistry.org/projects/molequeue

The MoleQueue application is written in C using the Qt framework. It can execute programs directly on the local machine, and uses SSH to communicate with remote batch scheduling systems with support for Open Grid Scheduler (formerly Sun Grid Engine) and PBS. The backend communication is abstracted, and support is currently being added for UIT (a SOAP protocol for communicating with military HPC resources using ezHPC). Website license and management.

2

Publications | Open Chemistry

https://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.

3

About | Open Chemistry

https://www.openchemistry.org/about

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

4

Gallery | Open Chemistry

https://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.

5

Documentation | Open Chemistry

https://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.

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projects.openchemistry.org

OpenChemistry - Overview - OpenChemistry

http://projects.openchemistry.org/projects/openchemistry

View all open issues. The Open Chemistry project, the superbuild and the parent of the chemistry projects. Homepage: http:/ www.openchemistry.org/. 27 open / 72. 51 open / 126. 3 open / 4.

kitware.com

Open Source: Open Chemistry

http://www.kitware.com/opensource/openchemistry.html

Kitware is leading the Open Chemistry project, which brings together the leading collection of open-source, cross-platform libraries and applications for the exploration, analysis, and generation of chemical data. The project builds upon efforts by collaborators and innovators in open chemistry such as the Blue Obelisk, Quixote and the associated projects. Download the source code. Join the mailing list. Website licensed under a Creative Commons Attribution-NoDerivs 3.0 Unported License.

cdash.openchemistry.org

CDash - AvogadroApp

http://cdash.openchemistry.org/index.php?project=AvogadroApp

Friday, November 04 2016 06:16:42 EDT. No update data as of Thursday, November 03 2016 - 21:00 EDT. Match the following rule:. Rows (0 for unlimited). CDash 2.2.3 Kitware.

eatsleepchemistry.blogspot.com

Eat, Sleep & Chemistry: Ei-loos koken is ook lekker!

http://eatsleepchemistry.blogspot.com/2015/01/ei-loos-koken-is-ook-lekker.html

Eat, Sleep and Chemistry. De wilde avonturen van . Hahahha was het maar zo. We zullen wel zien wat de toekomst brengt. Maandag 5 januari 2015. Ei-loos koken is ook lekker! De zoektocht is eindelijk afgelopen mijn schatje kan weer eten wat ze zelf wilt (indien het zelf klaargemaakt wordt). Jullie weten wel dat A. geen eigeel mag eten maar nu hebben we eindelijk een ei-vervangproduct gevonden. Zie foto hieronder. De natuur winkel van Diest zit vol goeds en zal ons nog even blijven verbazen denk ik zo.

eatsleepchemistry.blogspot.com

Eat, Sleep & Chemistry: januari 2013

http://eatsleepchemistry.blogspot.com/2013_01_01_archive.html

Eat, Sleep and Chemistry. De wilde avonturen van . Hahahha was het maar zo. We zullen wel zien wat de toekomst brengt. Donderdag 31 januari 2013. Al terug een update? Jajaja, want ik kan met veel plezier vertellen dat ons Periodiek Systeem der Elementen af is. We moesten nog net stokken/staven zoeken en alles stikken met het naaimachine. Het heeft lang geduurd, het is ook niet op tijd af geraakt maar nu is het af. Het resultaat mag er zijn! Ik ben alleszins trots, mijn schatje moet het nog zien :P. En he...

eatsleepchemistry.blogspot.com

Eat, Sleep & Chemistry: We rollen door de kamer

http://eatsleepchemistry.blogspot.com/2015/01/we-rollen-door-de-kamer.html

Eat, Sleep and Chemistry. De wilde avonturen van . Hahahha was het maar zo. We zullen wel zien wat de toekomst brengt. Zondag 11 januari 2015. We rollen door de kamer. Na lang wachten heb ik toch besloten om een rollerbank te kopen, ookwel losse rollen genoemd in de volksmond. Dus om nader te verduidelijken:. Dit is de avond dat mijn rollen toekwamen en na alles in te stellen moest er toch eens mee gereden worden. Nog een fotootje om te laten zien wat ik voelde:. Vol verbazing dat ik nog recht stond :P.

eatsleepchemistry.blogspot.com

Eat, Sleep & Chemistry: september 2013

http://eatsleepchemistry.blogspot.com/2013_09_01_archive.html

Eat, Sleep and Chemistry. De wilde avonturen van . Hahahha was het maar zo. We zullen wel zien wat de toekomst brengt. Maandag 2 september 2013. Ieder weekend probeer ik te sporten en liefst nog te mountainbiken (MTB'en). Maar gisteren (zondag) verliep dat aangenaam ietsje anders. Er zijn veel MTB Bloso routes. Zoals ik thuis ook al veel heb gezegd, ik heb nog nooit een route van de eerste keer kunnen uitrijden zonder verloren te rijden. Ongelooflijk! Uiteindelijk hebben we samen 50 km gereden wat nog ne...

eatsleepchemistry.blogspot.com

Eat, Sleep & Chemistry: Still rolling without bruises!

http://eatsleepchemistry.blogspot.com/2015/01/still-rolling-without-bruises.html

Eat, Sleep and Chemistry. De wilde avonturen van . Hahahha was het maar zo. We zullen wel zien wat de toekomst brengt. Maandag 12 januari 2015. Still rolling without bruises! Zoals eerder vermeld mijn tweede officiële trainingssessie: Toch de test en start ervan. Het gaat ondertussen redelijk goed. Ik voel me niet meer een houten plank op een fiets dat danst op het ijs. Ik zie er al naar uit om terug op de fiets te springen. 12 januari 2015 23:40. 12 januari 2015 23:44. Anyway, kudos en good luck.

eatsleepchemistry.blogspot.com

Eat, Sleep & Chemistry: mei 2012

http://eatsleepchemistry.blogspot.com/2012_05_01_archive.html

Eat, Sleep and Chemistry. De wilde avonturen van . Hahahha was het maar zo. We zullen wel zien wat de toekomst brengt. Donderdag 17 mei 2012. Ondertussen kan ik er al bijna volledig mee lachen. Bijna? Ja omdat mijn thesis nog niet achter de rug is :P. Ik heb wel hard gewerkt deze week en lange uren gedraaid om er voor te zorgen dat ik tijd heb om met de mentor te overleggen en te schrijven. Omdat ik zo hard gewerkt had de vorige dagen moest ik er vandaag maar 4 meer doen. Dat heb je goed opgemerkt! De en...

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OpenSMILES is a community sponsored open-standards version of the SMILES language for chemistry. OpenSMILES is part of the Blue Obelisk. The OpenSMILES Specification (HTML). The OpenSMILES Specification (PDF). Blue Obelisk OpenSMILES Mailing List. A discussion group of interested parties working out the features and language of the OpenSMILES specification. Click here to join the mailing list. Daylight Theory Manual: SMILES. The original SMILES specification by the company that invented SMILES.

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openchemistry.org

Open Chemistry

Open Chemistry in Google Summer of Code! The Open Chemistry project offers a suite of permissively licensed cross-platform tools that provide reusable libraries and end-user applications for computational chemistry, materials science, and related areas. Offers services to help you best leverage the Open Chemistry suite. Discover how we can work together to advance your research. Google Summer of Code. Tomviz offers a desktop application for the processing, visualization, and analysis of 3D tomographic da...

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Open Chemistry - Welcome to Open Chemistry

Skip to main content. Create interactive lessons using any digital content including wikis with our free sister product TES Teach. Get it on the web. Content By Topic Page. Welcome to Open Chemistry. What it is and Who it's for. If you are here, you are halfway home to joining the Open Chemistry community. In the upper left corner, you should see a prompt asking if you want to join this site. Simply click on Join now. Your membership will be approved as soon as possible. How to Use this Site. The resourc...

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