Hi John, jep, its quite an effort to move from 1.4 to 1.5. I will report back how it went..
Martin On Mon, Apr 7, 2014 at 9:24 PM, John May <john...@ebi.ac.uk> wrote: > 1.5.6 will hopefully be release this week but the ECFP (and FCFP) is already > available for use on the SNAPSHOTS. Alex and Krishna have done a really good > job and the fingerprint is robust and fast. We actually found we can make it > even faster by using the recent CDK ring perception improvements but that > will be in a later release. > > There are unfortunately a lot of API changes if you're upgrading 1.4. I'm > hoping that in future we can make this much easier by keeping deprecated > classes around, maven makes this much easier to isolate. > > J > > On 7 Apr 2014, at 19:53, Martin Guetlein <martin.guetl...@googlemail.com> > wrote: > > Awesome, I finally have to make the switch to 1.5... > > Kind regards, > Martin > > > On Mon, Apr 7, 2014 at 8:50 PM, Egon Willighagen > <egon.willigha...@gmail.com> wrote: > > On Mon, Apr 7, 2014 at 8:44 PM, Martin Guetlein > <martin.guetl...@googlemail.com> wrote: > > Are there any plans already to integrate this? > > > It already is in master: > > 8f48540 Fixed bug in CircularFingerprint/biotypes (for FCFP) > 8ef313f Use MDLV2000Reader for tests > a11b89d Minor tidying of comments > 40c9854 CircularFingerprinter recyclable > ec35cce Updated > 282457b Added missing files > 125d674 Descriptors & fingerprints > > It will be part of 1.5.6. > > Grtz, > > Egon > > > -- > 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 > > > > > -- > Dipl-Inf. Martin Gütlein > Phone: > +49 (0)761 203 8442 (office) > +49 (0)177 623 9499 (mobile) > Email: > guetl...@informatik.uni-freiburg.de > > ------------------------------------------------------------------------------ > Put Bad Developers to Shame > Dominate Development with Jenkins Continuous Integration > Continuously Automate Build, Test & Deployment > Start a new project now. Try Jenkins in the cloud. > http://p.sf.net/sfu/13600_Cloudbees > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user > > -- Dipl-Inf. Martin Gütlein Phone: +49 (0)761 203 8442 (office) +49 (0)177 623 9499 (mobile) Email: guetl...@informatik.uni-freiburg.de ------------------------------------------------------------------------------ Put Bad Developers to Shame Dominate Development with Jenkins Continuous Integration Continuously Automate Build, Test & Deployment Start a new project now. Try Jenkins in the cloud. http://p.sf.net/sfu/13600_Cloudbees _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
