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Physical Sciences and Mathematics Commons

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Chemistry

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College of Science and Engineering Faculty Research and Scholarship

2011

Chemistry

Articles 1 - 3 of 3

Full-Text Articles in Physical Sciences and Mathematics

Open Data, Open Source, And Open Standards In Chemistry: The Blue Obelisk Five Years On, Andrew Lang, Noel M. O'Boyle, Rajarshi Guha, Egon Willighagen, Samuel Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jerome Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust Oct 2011

Open Data, Open Source, And Open Standards In Chemistry: The Blue Obelisk Five Years On, Andrew Lang, Noel M. O'Boyle, Rajarshi Guha, Egon Willighagen, Samuel Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jerome Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust

College of Science and Engineering Faculty Research and Scholarship

Background: The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research by promoting interoperability between chemistry software, encouraging cooperation between Open Source developers, and developing community resources and Open Standards. Results: This contribution looks back on the work carried out by the Blue Obelisk in the past 5 years and surveys progress and remaining challenges in the areas of Open Data, Open Standards, and Open Source in chemistry. Conclusions: We show that the Blue …


Chemistry In Second Life. Part 2. A World Of Education And Networking, Andrew Lang, Jean-Claude Bradley Jun 2011

Chemistry In Second Life. Part 2. A World Of Education And Networking, Andrew Lang, Jean-Claude Bradley

College of Science and Engineering Faculty Research and Scholarship

Second Life visualisations can be scripted for immersive educational activities and real-life collaborative research. Social networking through Second Life is another spin-off for both chemists and chemistry students.


Chemistry In Second Life. Part 1. A World Of Visualisation, Andrew Lang, Jean-Claude Bradley May 2011

Chemistry In Second Life. Part 1. A World Of Visualisation, Andrew Lang, Jean-Claude Bradley

College of Science and Engineering Faculty Research and Scholarship

The multi-user virtual environment of Second Life is not limited tothe realms of role-play or romance. It can be a platform for the interactive and collaborative visualisation of molecules, spectraand experimental data.