Chemical SciencesJekyll

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.
Home PageJSON Feed
language
CdkJunitChemical Sciences
Published

I have started using branches for non-trivial patches, like removing the HückelAromaticityDetector, in favor of the new CDKHückelAromaticityDetector . I am doing this in my personal remove-non-cdkatomtype-code branch, where I can quietly work on the patch until I am happy about it. I make sure to keep it synchronized with trunk with regular svn merge commands.

BioclipseJavascriptChemical Sciences
Published

Ola has been doing a good job of integrating BioMoby support into Bioclipse. Earlier he completed a GUI for running BioMOBY services, and added more recently a JavaScript wrapper too, using the Rhino plugin developed by Johannes. For example: console = Packages.net.bioclipse.util.BioclipseConsole; moby = Packages.net.bioclipse.biomoby.ui.scripts.MobyServiceScripting; biojava = Packages.net.bioclipse.biojava.scripts.BioJavaScripting;

Chemical Sciences
Published

I just ran into BioSpider. Unlike ChemSpider, BioSpider crawls the internet (well, this list of sources really) to find information, and depending on what it finds it continues the search. Below is a screenshot of an intermediate point after starting with the InChI of methane: After the search it generates a long HTML page with all the information it found on the molecule you queried for.

SemwebChemical Sciences
Published

In this series I will introduce the technologies behind my FOAF network. FOAF means Friend-of-a-Friend and My FOAF file (draft) will give you details on who I am, who I collaborate with (and other types of friends), which conferences I am attending, what I published etc. That is, I’ll try to keep it updated. BTW, FOAF is a RDF language.

JmolChemical Sciences
Published

Bob has set up a new interface between the data model and the Jmol renderer, which allows him to define other types of export too. One of this is a POV-Ray export, which allows creating of high quality images for paper. Jmol has had POV-Ray export for a long time now, but never included the secondary structures or other more recent visual featues.