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

Ok, thanks! Best regards, On Mon, Dec 28, 2015 at 5:36 PM Björn Grüning <bjoern.gruening(a)gmail.com&gt; 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&gt; > > 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. > >>>>>>> > >>>>>>> > >>>>>>> > >>>>>>> ___________________________________________________________ > >>>>>>> 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/ > >>>>>>> > >>>>>> > >>>> > >> > -- *Léo Biscassi* Facebook - https://pt-br.facebook.com/lbiscassi Linkedin - https://br.linkedin.com/in/leobiscassi Skype - biscassi.leo Twitter - https://twitter.com/leobiscassi