My first go will probably to have SVG remotely generated... John's CDKDepict can do this, and so does Nina's AMBIT... that reduces the dependencies for pvjs significantly...
But I'll keep it in the picture. BTW, please feel free to add these suggestions to the GitHub NRNB issue tracker too, so that students can see the ideas too! Egon On Tue, Mar 1, 2016 at 7:06 PM, Greg Landrum <greg.land...@gmail.com> wrote: > I can probably help with that Egon, at least as far as the RDKit bit is > concerned. > > > On Tuesday, 1 March 2016, Egon Willighagen <egon.willigha...@gmail.com> > wrote: >> >> Geoff, >> >> thanks for the suggestions. I need to look at the HTML code that uses >> $foo.js and create an SVG image... emscripting looks nice, but also >> harder to easily integrate... I need to see how much you can rip out, >> to just have the core content... >> >> Egon >> >> On Tue, Mar 1, 2016 at 4:55 PM, Geoffrey Hutchison <geo...@pitt.edu> >> wrote: >> >> 2. https://github.com/nrnb/GoogleSummerOfCode/issues/47 >> >> The second idea is in JavaScript where I envision use of remote >> >> services that can convert SMILES and/or identifiers to SVG images of >> >> 2D depictions. >> > >> > There may be benefits to using CDK for this, but I think there are >> > already ways for JS to generate SVG from SMILES: >> > >> > Helium: >> > http://baoilleach.blogspot.com/2015/02/cheminformaticsjs-helium.html >> > >> > RDKit: >> > http://baoilleach.blogspot.com/2015/02/cheminformaticsjs-rdkit.html >> > >> > Open Babel: >> > http://baoilleach.blogspot.com/2015/02/cheminformaticsjs-open-babel.html >> > >> > Cheers, >> > -Geoff >> > >> >> >> >> -- >> E.L. Willighagen >> Department of Bioinformatics - BiGCaT >> Maastricht University (http://www.bigcat.unimaas.nl/) >> Homepage: http://egonw.github.com/ >> LinkedIn: http://se.linkedin.com/in/egonw >> Blog: http://chem-bla-ics.blogspot.com/ >> PubList: http://www.citeulike.org/user/egonw/tag/papers >> ORCID: 0000-0001-7542-0286 >> ImpactStory: https://impactstory.org/EgonWillighagen >> >> >> ------------------------------------------------------------------------------ >> Site24x7 APM Insight: Get Deep Visibility into Application Performance >> APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month >> Monitor end-to-end web transactions and take corrective actions now >> Troubleshoot faster and improve end-user experience. Signup Now! >> http://pubads.g.doubleclick.net/gampad/clk?id=272487151&iu=/4140 >> _______________________________________________ >> Blueobelisk-discuss mailing list >> Blueobelisk-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 ImpactStory: https://impactstory.org/EgonWillighagen ------------------------------------------------------------------------------ Site24x7 APM Insight: Get Deep Visibility into Application Performance APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month Monitor end-to-end web transactions and take corrective actions now Troubleshoot faster and improve end-user experience. Signup Now! http://pubads.g.doubleclick.net/gampad/clk?id=272487151&iu=/4140 _______________________________________________ Blueobelisk-discuss mailing list Blueobelisk-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
