Agreed. Good support for reading and writing mol2 format would indeed be
useful.
But not convinced this alone is sexy enough for GSoC.
Could there be something in a more general project to bridge the
compound (mol/smiles), sequence (protein/nucleotide seq + alignments)
and structure (pdb/mmcif/mmtf) worlds?
OK, so that's far too much to ask for, but is there something that could
be plucked out from there that is useful and achievable?
Tim
On 15/01/18 09:19, Greg Landrum wrote:
On Mon, Jan 15, 2018 at 9:50 AM, Francois BERENGER
<beren...@bioreg.kyushu-u.ac.jp
<mailto:beren...@bioreg.kyushu-u.ac.jp>> wrote:
Supporting mol2 files as input would be nice.
Do you mean as output? You can already (in a limited way) read them.
-greg
There is already some code out there, people have worked on it and
several people would like to have the feature...
On 01/15/2018 04:09 PM, Greg Landrum wrote:
> Dear all,
>
> We've been invited again to participate in the OpenChemistry
application
> for Google Summer of Code.
>
> In order to participate we need ideas for projects and mentors to go
> along with them.
>
> The current list of RDKit ideas is being maintained here:
>
http://wiki.openchemistry.org/GSoC_Ideas_2018#RDKit_Project_Ideas
<http://wiki.openchemistry.org/GSoC_Ideas_2018#RDKit_Project_Ideas>
>
> (Note: at the point that I'm pressing "send", that's still a copy of
> last year's project ideas).
>
> If you're willing to be a mentor (please ask me about the ~5
hours/week
> required here) or have ideas, please reply to this thread.
>
> Best,
> -greg
>
>
>
------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>
>
>
> _______________________________________________
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
<mailto:Rdkit-discuss@lists.sourceforge.net>
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
<https://lists.sourceforge.net/lists/listinfo/rdkit-discuss>
>
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
<mailto:Rdkit-discuss@lists.sourceforge.net>
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
<https://lists.sourceforge.net/lists/listinfo/rdkit-discuss>
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
