Blue Obelisk

From Jmol
Jump to navigation Jump to search
Jmol/JSmol Applications

The Blue Obelisk

The Blue Obelisk has brought together a group of chemists/programmers/informaticians who find themselves working together using collaborative tools and sharing commonality of vision. They are driven by wanting to do things better, but are frustrated with the Closed systems that chemists currently have to work with. And they express this in code, data, algorithms, specifications, tutorials, demonstrations, articles and anything that helps get the message across.

The Blue Obelisk Chemoinformatics Dictionary

Jmol implements these algorithms in the Blue Obelisk Chemoinformatics Dictionary:

Jmol class method dictionary reference
org.jmol.bspt.Bspt blue-obelisk:rebondFrom3DCoordinates
org.jmol.viewer.Frame blue-obelisk:convertNotionalIntoCartesianCoordinates
org.jmol.viewer.Frame convertEuclideanToFractional() blue-obelisk:convertCartesianIntoFractionalCoordinates
org.jmol.viewer.Frame convertFractionalToEuclidean() blue-obelisk:convertFractionIntoCartesianCoordinates