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chem-bla-ics

chem-bla-ics
Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.
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JavascriptWebUbiquityChemieEnglisch
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Now, I’m really after something else, but here’s my first Ubiquity scripts. It allow you to select a DOI on any web page (which really only makes sense if it is not already a hyperlink), you hit ALT-SPACE (Linux), CTRL-SPACE (Windows), or whatever the shortcut is on your operating system, and type resolve-doi and it will automatically convert the DOI into a hyperlink to look up the paper.

CmlCdkInchiChemieEnglisch
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Cameron, Jean-Claude and I were invited to Peter’s place in Cambridge, where we are now hacking on CMLReact for the Ugi reactions Jean-Claude has been working on. I just finished a script that uses the CDK and Sam’s interface to the InChI library to convert a list of four reactants and one Ugi product into CMLReact (doi:10.1021/ci0502698). The full BeanShell script looks like:

BlogScienceFriendfeedChemieEnglisch
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Definately not a first post, but here are my experiences of my first blogging conference (see also this and this , the latter using semantic markup for the event): it was fun! My suggested unconference was not chosen, because I, as I usually do, focus to much on how instead of why one wants to do something. Nevertheless, I got to say my things, so I won’t complain.

BioclipseCmlUgiUsefulchemChemieEnglisch
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The nice thing about a hacksession, is that you have something to write about. Below a screenshot of a Ugi reaction in Bioclipse… note the source tab of the editor, which holds the CML.