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

Hi Bjorn, the branch model of ChemicalToolBoX is the same presented in [1]? Could guide me about it? [1] https://github.com/galaxyproject/galaxy/blob/dev/CONTRIBUTING.md Att. On Mon, Dec 28, 2015 at 5:04 PM Léo Biscassi <leo.biscassi(a)gmail.com <mailto:leo.biscassi@gmail.com>> wrote: Ok, thanks! Best regards, On Mon, Dec 28, 2015 at 5:36 PM Björn Grüning <bjoern.gruening(a)gmail.com <mailto:bjoern.gruening@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 <mailto: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(a)gmail.com <mailto: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(a)gmail.com <mailto: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. >>>>>>> >>>>>>> >>>>>>> >>>>>>> ___________________________________________________________ >>>>>>> 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 -- *Léo Biscassi* Facebook - https://pt-br.facebook.com/lbiscassi Linkedin - https://br.linkedin.com/in/leobiscassi Skype - biscassi.leo Twitter - https://twitter.com/leobiscassi