Hi,

I've found this Trello card (
https://trello.com/c/2eIu6SBa/49-autodock-integration). Do you have more
information about it?

best,

On Mon, Dec 28, 2015 at 4:33 PM Björn Grüning <bjoern.gruen...@gmail.com>
wrote:

> Hi,
>
> yes we had some idea, but nothing materialised so far. We started with
> the visualisation, because this was more fun :)
>
> Have a look at this board for more ideas:
> https://trello.com/b/t9Wr8lSY/chemicaltoolbox
>
> Ciao,
> Bjoern
>
>
> Am 28.12.2015 um 19:29 schrieb Léo Biscassi:
> > 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.gruen...@gmail.com
> >
> > 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.
> >>>
> >>>
> >>>
> >>> ___________________________________________________________
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> >>>
> >>
>
-- 
*Léo Biscassi*
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