Re: [galaxy-dev] Galaxy tools for docking protein-compounds.

Hi Bjorn, thanks for reply. Would be great idea join forces in this project. How do you plan extend ChemicalToolBoX with docking? I would like to know more details. Att. On Mon, Dec 28, 2015 at 4:09 PM Björn Grüning <bjoern.gruening(a)gmail.com&gt; wrote: > Hi Léo, > > idneed we have a small community that is bringing Cheminformatics into > the Galaxy. It's called ChemicalToolBox and is located here: > > https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox > > We have all the basic stuff for manipulating checmical structure files, > fingerprint search, pharmacophore searches and so on. Also we did all > the basic work on datatypes and packages. Our last addition was to > integrate a PDB visulalisation (NGL) based on WebGL. This one is used to > visualise our structures directly in Galaxy. > > We have also a trello board with more ideas and plans what we would like > to add and Vina is one of the ig targets :) > Would be great if we can join forces here! > > We also maintain a Galaxy Flavour (Galaxy Docker Image about > Cheminformatics) that we would love to extend with Docking. > > Thanks for letting us know and looking forward to join forces here! > Bjoern > > > Am 28.12.2015 um 18:58 schrieb Léo Biscassi: >> Hi folks, >> >> I've been developing Galaxy tools for docking protein-compounds. My > docking >> program is Autodock Vina. In [1] is my repository. >> >> I'm writing here for two purpose: >> 1) Is there someone working in this way? I've found the project [2]. >> 2) I would like to share these tools to Galaxy project. Are they welcome >> for Galaxy project? Let me know the best practices for developing tools > to >> be shared in Galaxy project. >> >> [1] https://github.com/leobiscassi/galaxy_tools >> [2] https://toolshed.g2.bx.psu.edu/ >> >> Thanks for any help. >> >> Att. >> >> >> >> ___________________________________________________________ >> Please keep all replies on the list by using "reply all" >> in your mail client. To manage your subscriptions to this >> and other Galaxy lists, please use the interface at: >> https://lists.galaxyproject.org/ >> >> To search Galaxy mailing lists use the unified search at: >> http://galaxyproject.org/search/mailinglists/ >> >