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ballaxy is a workflow framework for structure based computational biology based on the Galaxy workflow engine.
We offer numerous tools addressing typical structure based tasks as well as exemplary workflows.
Particularly elaborated topics build from our tool set:
- BOA Constructor for optimal bond order assignment,
- NightShift for NMR shift Inference by General Hybrid model training, and
- Spinster for pure protein chemical shift prediction.
- Docking Pose Clustering
But there are far more tasks addressed, e.g. in addition to above topics oriented building blocks, the tool set offers file upload for molecular data (pdb, mol, mol2, hin, xyz), format conversion, a ligand structure visualization tool, force field related tools or computational chemistry.
A relatively recent list of our current set of tools can be found here.
For questions related to the Galaxy framework we refer to the official Galaxy support http://wiki.g2.bx.psu.edu/Support.
Before posting a question to our Mailing List (http://groups.google.com/group/ball-user-list), we ask that you please first review the support resources summarized on this page.
- For general questions on how to use ballaxy have a look here: Ballaxy_Help
- For our BOA Constructor workflow we offer a special Wiki: BOAConstructor_Help
- For our NightShift workflow we offer a special Wiki: NightShift_Help
- The Galaxy Wiki can be found here: http://wiki.g2.bx.psu.edu/.
- How to set up a ballaxy instance
- How to set up ballaxy via docker
- How to use the ballaxy plugin in BALLView
- How to create a new tool for ballaxy
- For the workflow BOA Constructor we offer a special tutorial: BOAConstructor_Tutorial.
- For the workflow NightShift we offer a special tutorial: NightShift_Tutorial.
- The Galaxy tutorials can be found here: http://galaxycast.org.
Ballaxy is currently work in progress. At the moment, the simplest way of using it is to access our preinstalled server at https://ballaxy.bioinf.uni-sb.de.