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@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@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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>>>>>>
>>>>
>>