{
  "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/2009/04/05/cdk-documentation.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/rzwcr-mq411",
      "url": "https://chem-bla-ics.linkedchemistry.info/2009/04/05/cdk-documentation.html",
      "title": "CDK - The Documentation",
      "content_html": "<p>In preparation for the <a href=\"http://www.steinbeck-molecular.de/steinblog/index.php/2009/02/17/cdk-workshop-at-ebi-on-april-2021/\">CDK workshop</a> later this\nmonth, I am writing up my material for my kick-off presentation of the workshop. So, I better make it good. Using LaTeX at least overcomes my laziness\nwhich always made Word documents look stupid. Even default LaTeX looks good:</p>\n\n<p><img src=\"/assets/images/cdkbook.png\" alt=\"\" /></p>\n\n<p>Clearly, any such documentation becomes quickly outdated, in particular when source code fragments are involved. Yes,\n<a href=\"http://sourceforge.net/mailarchive/forum.php?thread_name=6aeb064b0903130006j2a71a94execd2f09209cd668%40mail.gmail.com&amp;forum_name=cdk-user\">CDK 1.2</a> is\nAPI stable, but only for the core classes. Moreover, I hope that the documentation will survive CDK 1.4 or 2.0 or whatever the next stable version is.</p>\n\n<p>Therefore, I need to source code fragments compilable. R has the magnificent <a href=\"http://www.stat.umn.edu/~charlie/Sweave/\">Sweave</a>, and I wanted for a\nlong time something similar. While I do not have something that powerful yet, at least my current set up allows me have code that both compiles and\nembeds in the LaTeX. The system allows me to write both Java application code as\n<a href=\"https://en.wikipedia.org/wiki/BeanShell\">BeanShell</a> scripts. No clue yet what I will use in the workshop,\nmaybe even both. Like Sweave, it even saves output, and I can include that in the LaTeX source too. The code fragments can either go in as a verbatim\nsection, or as a listing, depending on what I find more appropriate.</p>",
      "summary": "In preparation for the CDK workshop later this month, I am writing up my material for my kick-off presentation of the workshop. So, I better make it good. Using LaTeX at least overcomes my laziness which always made Word documents look stupid. Even default LaTeX looks good:",
      "image": "https://chem-bla-ics.linkedchemistry.info/assets/images/cdkbook.png",
      "date_published": "2009-04-05T00:00:00+00:00",
      "date_modified": "2025-12-09T00:00:00+00:00",
      "tags": ["cdk","cdkbook"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}