Hi Bjorn, the branch model of ChemicalToolBoX is the same presented in [1]?
Could guide me about it?
[1]
Att.
On Mon, Dec 28, 2015 at 5:04 PM Léo Biscassi <leo.biscassi(a)gmail.com> wrote:
Ok, thanks!
Best regards,
On Mon, Dec 28, 2015 at 5:36 PM Björn Grüning <bjoern.gruening(a)gmail.com>
wrote:
>
>
> Am 28.12.2015 um 20:33 schrieb Léo Biscassi:
> > Hi,
> > Thanks all your attention.
> > Although my project is functional prototype, its current version is
> able to
> > integrate with projects. In fact, I was looking for projects like
> > ChemicalToolBoX because I would like to develop my tools under project
> that
> > has more options. In this way, ChemicalToolBoX is a great opportunity
> for
> > me.
> > Can you update the trello card with my project? Is it necessary for your
> > organization?
>
> I added you :) So you have all right to modify cards.
> Let me know if you need help with Tool development or git.
>
> This is exciting!
> Cheers,
> Bjoern
>
> > Best regards,
> >
> > On Mon, Dec 28, 2015 at 5:12 PM Björn Grüning <
> bjoern.gruening(a)gmail.com>
> > wrote:
> >
> >>
> >>
> >> Am 28.12.2015 um 20:06 schrieb Léo Biscassi:
> >>> Hi,
> >>>
> >>> I've found this Trello card (
> >>>
https://trello.com/c/2eIu6SBa/49-autodock-integration). Do you have
> more
> >>> information about it?
> >>
> >> Afaik we can not use his work as it was done for some company and he
> >> moved on ... so this is unfortunately no option afaik.
> >>
> >>
> >>
> >>> best,
> >>>
> >>> On Mon, Dec 28, 2015 at 4:33 PM Björn Grüning <
> bjoern.gruening(a)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.gruening(a)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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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/
> >>>>>>>
> >>>>>>
> >>>>
> >>
>
--
*Léo Biscassi*
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