It doesn't use InChI :-). On Tue, 11 Sep 2018 at 16:43, Egon Willighagen <egon.willigha...@gmail.com> wrote:
> Anyway, I'm quite excited about the idea of a Docker for CDK > functionality... (well, excited it triggered here not so much I am entirely > sure this is a fantastic platform, but in our OpenRiskNet we use it for > workflows, and being able to replace some stuff with CDK functionality in > that cloud *is* exciting :) > > John, how is your CDK Depict docker [0] set up then? > > Egon > > 0.https://hub.docker.com/r/simolecule/cdkdepict/ > > > On Tue, Sep 11, 2018 at 5:03 PM Maria Sorokina <maria.ssorok...@gmail.com> > wrote: > >> I am building my jar with Maven, but I don’t think that it is the >> problem, as I tried tu run the jar on a Centos7 VM having just Java and it >> worked without any problem. >> I also desperately tried the dirty solution of downloading the manifest >> and the jniinchi-1.03_1-LINUX-AMD64.so files the ini-inchi seems to >> search for and put them where it seems to search them within the container, >> but, of course it failed. >> >> I’ll try to search for a solution, but for now I’ll just do my thing >> without containerizing this part of my app. If I find a solution, I’ll post >> it here. Meanwhile, I’m still very open to any suggestion! >> > > > -- > E.L. Willighagen > Department of Bioinformatics - BiGCaT > Maastricht University (http://www.bigcat.unimaas.nl/) > Homepage: http://egonw.github.com/ > Blog: http://chem-bla-ics.blogspot.com/ > PubList: https://www.zotero.org/egonw > ORCID: 0000-0001-7542-0286 <http://orcid.org/0000-0001-7542-0286> > ImpactStory: https://impactstory.org/u/egonwillighagen >
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