Quoting Egon Willighagen <egon.willigha...@gmail.com>: > On Tue, Feb 24, 2009 at 4:25 PM, Vincent Le Guilloux > <vincent.le-guill...@univ-orleans.fr> wrote: >> I'm currently trying to migrate a JOElib based application to CDK. > > Integrating the both? >
Well the current application is entirely based on JOElib. As JOElib is no more developped, I'm thinking about using CDK instead... Besides I want to keep some JOElib features (mainly descriptors calculation), that's why I need a JOElib/CDK converter. >> The following link: >> http://www.docjar.com/html/api/joelib/util/cdk/CDKTools.java.html >> >> suggests that at some time, a JOElib/CKD converter was available in >> the cdk distribution (org.openscience.cdk.libio.joelib.Convertor). > > It hasn't been used much lately, but the code is available from: > > http://cdk.svn.sourceforge.net/viewvc/cdk/cdk-libio/trunk/ > Ok thanks. May I know why it has been removed from the current CDK release? >> I was also wondering if there is any basic example of usage of CDK API >> (with source code), e.g. loading a sdf file and displaying molecules >> in a 2D or 3D viewer? I've checked documentation available but I >> haven't found anything like that. > > The unit tests in src/test are a good source of code examples... > Yeah I just realized that, I will check this out. > Rajarshi, can you point Vincent to your code for 2D rendering of a SD file? Currently I'm looking at the KNIME cdk pluggin source code. I guess it's a good starting point, but any additional source of documentation will be more than welcome. Thanks anyway for your (fast) answer :) Vincent. > > Egon > > > > -- > Post-doc @ Uppsala University > http://chem-bla-ics.blogspot.com/ > > -- Vincent Le Guilloux Phd Student - ICOA - UMR CNRS 6005 Div. of chemoinformatic and molecular modeling. University of Orléans Phone: ++33 2 38 49 45 77 Fax : ++33 2 38 41 72 81 ------------------------------------------------------------------------------ Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco, CA -OSBC tackles the biggest issue in open source: Open Sourcing the Enterprise -Strategies to boost innovation and cut costs with open source participation -Receive a $600 discount off the registration fee with the source code: SFAD http://p.sf.net/sfu/XcvMzF8H _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
