I confess to being in the same boat as Egon. However, it would be handy to have a set of generally available REST endpoints (in particular depictions).
On Tue, Aug 30, 2016 at 8:22 AM, Egon Willighagen < egon.willigha...@gmail.com> wrote: > On Tue, Aug 30, 2016 at 2:16 PM, Robert Hanson <hans...@stolaf.edu> wrote: > > Maybe some of you want to help! > > Want is one thing... actually have time (read: some good reason to > spend project hours on it...), that's another... > > Bob, you may also be interested in John May's 2D depiction, but I > guess you already have seen that: > https://cdkdepict-openchem.rhcloud.com/depict.html > > I may be able to do some proofreading, which I did a bit in the past > too... Robert Belford tried to get my support a long time ago, and it > has my full moral support, but I don't have any cheminformatics > courses I teach right now, so no course material development time :( > > Egon > > > On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen < > egon.willigha...@gmail.com> wrote: > >> > >> > >> Rajarshi, Ola, > >> > >> where is the code base? Then I can look at updating the code. The QSAR > stack has not changed a lot, neither has the SMILES parsing API. I think I > can fix it without much trouble, if there is a git repository and build > instructions... > >> > >> Then Ola and I can look at updating the instance in two weeks when I'm > visiting his lab. > >> > >> Egon > >> > >> > >> On Tue, Aug 30, 2016 at 10:21 AM, Ola Spjuth <ola.spj...@farmbio.uu.se> > wrote: > >>> > >>> Hi, > >>> > >>> Yes, I can confirm that we have been hosting this for some time. We > used it in the past, but I dot think we are using it anymore. I would be > happy to continue hosting an updated version. > >>> > >>> Ola > >>> > >>> > >>> On 30 aug. 2016, at 03:04, Rajarshi Guha <rajarshi.g...@gmail.com> > wrote: > >>> > >>> I think Ola Spjuth was/is hosting this. > >>> > >>> The code is a set of REST services described at http://rest.rguha.net > - it hasn't been updated in many years. The JAR file should run and the > code should compile (I think it includes the relevant CDK dependencies). > >>> > >>> But it's many version behind the latest CDK, so I would'nt suggest > using this for production > >>> > >>> On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson <hans...@stolaf.edu> > wrote: > >>>> > >>>> Does anyone know whom to contact in relation to this site? > >>>> > >>>> Cross-Origin Request Blocked: The Same Origin Policy disallows > reading the remote resource at http://ws1.bmc.uu.se:8182/cdk/ > descriptor/org.openscience.cdk.qsar.descriptors.molecular. > RuleOfFiveDescriptor/CCCOCOC. (Reason: CORS header > 'Access-Control-Allow-Origin' missing). > >>>> > >>>> It looks like a great site, but (a) I can't find any documentation on > it and (b) it isn't accessible by AJAX. > >>>> > >>>> Bob Hanson > >>>> > >>>> -- > >>>> Robert M. Hanson > >>>> Larson-Anderson Professor of Chemistry > >>>> St. Olaf College > >>>> Northfield, MN > >>>> http://www.stolaf.edu/people/hansonr > >>>> > >>>> > >>>> If nature does not answer first what we want, > >>>> it is better to take what answer we get. > >>>> > >>>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > >>>> > >>>> > >>>> ------------------------------------------------------------ > ------------------ > >>>> > >>>> _______________________________________________ > >>>> Blueobelisk-discuss mailing list > >>>> Blueobelisk-discuss@lists.sourceforge.net > >>>> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss > >>>> > >>> > >>> > >>> > >>> -- > >>> Rajarshi Guha | http://blog.rguha.net > >>> NIH Center for Advancing Translational Science > >>> ------------------------------------------------------------ > ------------------ > >>> _______________________________________________ > >>> Blueobelisk-discuss mailing list > >>> Blueobelisk-discuss@lists.sourceforge.net > >>> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss > >>> > >>> > >>> > >>> ------------------------------------------------------------ > ------------------ > >>> > >>> _______________________________________________ > >>> 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 > >> > >> ------------------------------------------------------------ > ------------------ > >> > >> _______________________________________________ > >> Blueobelisk-discuss mailing list > >> Blueobelisk-discuss@lists.sourceforge.net > >> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss > >> > > > > > > > > -- > > Robert M. Hanson > > Larson-Anderson Professor of Chemistry > > St. Olaf College > > Northfield, MN > > http://www.stolaf.edu/people/hansonr > > > > > > If nature does not answer first what we want, > > it is better to take what answer we get. > > > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > > > -- > 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 > > ------------------------------------------------------------ > ------------------ > _______________________________________________ > Blueobelisk-discuss mailing list > Blueobelisk-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss > -- Rajarshi Guha | http://blog.rguha.net NIH Center for Advancing Translational Science
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