[OTDev] running Algorithm directly on a SD file?
Nina Jeliazkova nina at acad.bgWed Mar 31 12:27:19 CEST 2010
- Previous message: [OTDev] running Algorithm directly on a SD file?
- Next message: [OTDev] running Algorithm directly on a SD file?
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
Hi Egon, Egon Willighagen wrote: > Hi all, > > is it possible to run an OpenTox /algorithm directly on an SD or mol > file? Or should that always be uploaded as data set first? > The dataset should have an URI, so it should be uploaded, or the dataset constructed from existing compounds/features at a certain dataset service. In principle,one can run a simple dataset service on his own desktop - just exposing SDF file(s) via the opentox API. Regards, Nina > Egon > >
- Previous message: [OTDev] running Algorithm directly on a SD file?
- Next message: [OTDev] running Algorithm directly on a SD file?
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
More information about the Development mailing list