Great idea Geoff, One thing that would be useful is better handling of fields within sdf files, I’d like to be able to convert an sdf to a tab delimited text file with the fields within the sdf as column headers, with the SMILES string as the first column.
Cheers Chris > On 27 Mar 2020, at 12:41, openbabel-discuss-requ...@lists.sourceforge.net > wrote: > > Send OpenBabel-discuss mailing list submissions to > openbabel-discuss@lists.sourceforge.net > > To subscribe or unsubscribe via the World Wide Web, visit > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > or, via email, send a message with subject or body 'help' to > openbabel-discuss-requ...@lists.sourceforge.net > > You can reach the person managing the list at > openbabel-discuss-ow...@lists.sourceforge.net > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of OpenBabel-discuss digest..." > > > Today's Topics: > > 1. If someone had time on their hands (now) ? (Geoffrey Hutchison) > 2. Re: [OpenBabel-Devel] If someone had time on their hands > (now) ? (Stefano Forli) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Thu, 26 Mar 2020 14:16:56 -0400 > From: Geoffrey Hutchison <geoff.hutchi...@gmail.com> > To: Openbabel-DEV <openbabel-de...@lists.sourceforge.net>, babel > <openbabel-discuss@lists.sourceforge.net> > Subject: [Open Babel] If someone had time on their hands (now) ? > Message-ID: <cf968df9-a241-4869-bd58-908b71628...@gmail.com> > Content-Type: text/plain; charset=us-ascii > > As many of you may know, Open Babel is participating in Google Summer of Code > 2020. The last two years, we've been lucky to have Naruki working on the > fragment-based builder in 3.0 as well as improvements in the > not-quite-finished distance geometry builder. > > If you know of students who might be interested in participating in GSoC > 2020, it's not too late to apply. The deadline is March 31st and more details > are here: > https://wiki.openchemistry.org/Applying_to_GSoC > https://wiki.openchemistry.org/GSoC_Ideas_2020 > > Beyond that, it's probably a good time to ask for ideas, suggestions, pain > points, etc. Let's say there are developers with time on their hands during > this global pause.. What would you like to see added or changed with Open > Babel? > > I'd like to open the discussion, but also point people to the issue tracker > on GitHub; https://github.com/openbabel/openbabel/issues > > I have a few ideas: > - Improved bond order perception - we're finishing up something for this in > my group > - A bullet-proof 3D coordinate generator > - Improved 2D depiction using the CoordGen library contributed to RDKit last > year by Schrodinger > > Thanks, > -Geoff > _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
