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@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@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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>>>>
>>