Re: [Cdk-user] Structure 2D Layout: generateExperimentalCoordinates

2016-06-05 Thread Christoph Steinbeck
Well said :) Kind regards, Chris -- Dr. Christoph Steinbeck, Head of Cheminformatics and Metabolism European Bioinformatics Institute (EMBL-EBI), European Molecular Biology Laboratory Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK Phone +44 1223 49 2640, Email:

[Cdk-user] Structure 2D Layout: generateExperimentalCoordinates

2016-06-05 Thread John M
Hi All, Just making some more patches to the 2D layout, and I am tempted to deprecate the method: 'generateExperimentalCoordinates'. Essentially this method first deletes hydrogens, lays out the rest of the structure then adds them back in with a specialised HydrogenPlacer. Anyone know the