Niehaus and code developer Benoit Jacobs recently began working on a new way of displaying chemical information with Kalzium: the 3-D model. The team uses Open Babel 2.1, a free software application used to convert chemical file formats. They tweaked the package to suit their specific needs. By using Open Babel, Niehaus says Kalzium will be able to display "pretty much every 3-D file out there, including chemistry file formats such as .mol, .pdb, and .xyz."
And the Blue Obelisk Data Repository:
A much more subtle, but no less important, addition is the merging of Kalzium's data with the XML-based data of the Blue Obelisk project. Blue Obelisk is a collaborative effort of chemists worldwide who contribute to a variety of open chemistry-based projects.
Cheers, Carsten!
