{
  "version": "https://jsonfeed.org/version/1.1",
  "title": "chem-bla-ics",
  "description": "Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.",
  "home_page_url": "https://chem-bla-ics.linkedchemistry.info/",
  "feed_url": "https://chem-bla-ics.linkedchemistry.info/2009/08/05/jchempaint-primary-being-picked-up.json",
  "icon": "https://chem-bla-ics.linkedchemistry.info/assets/images/chem-bla-ics_logo.png",
  "language": "en",
  "authors": [
    {
      "name": "Egon Willighagen",
      "url": "https://orcid.org/0000-0001-7542-0286",
      "_orcid": "0000-0001-7542-0286"
    }
  ],
  "items": [

    {
      "id": "https://doi.org/10.59350/wkk5p-56y41",
      "url": "https://chem-bla-ics.linkedchemistry.info/2009/08/05/jchempaint-primary-being-picked-up.html",
      "title": "JChemPaint-Primary being picked up...",
      "content_html": "<p>Backporting the <a href=\"https://chem-bla-ics.linkedchemistry.info/2009/07/31/maintaining-jchempaint-primary-patch.html\">JChemPaint-Primary patch for master <i class=\"fa-solid fa-recycle fa-xs\"></i></a> to the cdk-1.2.x\nbranch turned out to be fairly easy, but is a major step forward as we now have a patch to extend CDK 1.2.x with rendering support again, a major thing we\nlost when going from the CDK 1.0 to the 1.2 series.</p>\n\n<p>For example, <a href=\"http://www.knime.org/\">KNIME</a> delayed moving to CDK 1.2 because of the lack of the renderer. Another project that really wanted to have the\nrenderer was Ruby CDK (<a href=\"http://github.com/sklemm/rcdk-ng/tree/master\">rcdk-ng</a>, but not the same as the <a href=\"http://cran.r-project.org/web/packages/rcdk/index.html\">R rcdk package</a>\n:), originally <a href=\"https://doi.org/10.59350/c8h7w-n4922\">started by Rich <i class=\"fa-solid fa-recycle fa-xs\"></i></a>,\nnow maintained by Sebastian Klemm at the <a href=\"http://www.fhnw.ch/lifesciences/ipt\">Institute for Pharmatechnology of the University of Applied Science</a>,\nSwitzerland.</p>\n\n<p>Ruby CDK is a web environment for molecular structures, and based on the new rendering code, it looks like (copyright by Sebastian):</p>\n\n<p><img src=\"/assets/images/compound.png\" alt=\"\" /></p>\n\n<h4>References</h4>\n<div class=\"csl-bib-body\">\n    <div class=\"csl-entry\">Apodaca, R. (2006). Agile Chemical Informatics Development with CDK and Ruby: RCDK-0.3.0. In <i>Front Matter</i>. Front Matter. https://doi.org/10.59350/c8h7w-n4922 <a href=\"https://doi.org/10.59350/c8h7w-n4922\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.59350/c8h7w-n4922\">Scholia</a></div>\n  </div>",
      "summary": "Backporting the JChemPaint-Primary patch for master to the cdk-1.2.x branch turned out to be fairly easy, but is a major step forward as we now have a patch to extend CDK 1.2.x with rendering support again, a major thing we lost when going from the CDK 1.0 to the 1.2 series.",
      "image": "https://chem-bla-ics.linkedchemistry.info/assets/images/compound.png",
      "date_published": "2009-08-05T00:00:00+00:00",
      "date_modified": "2026-09-27T00:00:00+00:00",
      "tags": ["jchempaint"],
      "_references": [
        
          
          
            { "url": "https://doi.org/10.59350/c8h7w-n4922", "doi": "10.59350/c8h7w-n4922"
             }
            
          
        ],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}