Proposed Workshops

I intend to list here proposed topics for the workshops.





Provisionally the workshops will take place in the afternoon, but this will depend on how innundated we are with user presentations. I think we should assume 4 X 90 or 120 minute workshops over the 2 days.





We could also think about breaking the general themes for each day. A natural break would be Marvin/JChem Base/Standardiser/JKlustor for 1 day and drug discovery tools (Reactor/Screen/Fragmenter...)





Comments..?

From Dragos





"one important thing to go through during the WorkShops is a systematic presentation of the API, to give beginners an overview in order to know where to attack the class jungle; I know we spent a hell lot of time in searching whether there's already a routine for doing a given thing (typical question - is there a class that retrieves a list associating to each atom its hybridization code?? - good question, actually, is there such class?? and if so, what's the format for the hydridization status?) A presentation citing the main classes and supported features may trigger a brainStorm, so people would like to jump into discussion and cite functionalities they'd adore to see dressed as a plug&play call in the API."