{
  "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/2006/05/26/molecular-indexing-on-kde-and-osx.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/10.59350/51khs-pyh66",
      "url": "https://chem-bla-ics.linkedchemistry.info/2006/05/26/molecular-indexing-on-kde-and-osx.html",
      "title": "Molecular indexing on the KDE and OS/X desktops",
      "content_html": "<p><a href=\"http://geoffhutchison.net/about/\">Geoff Hutchinson</a> <a href=\"http://geoffhutchison.net/blog/archives/2006/05/25/chemspotlight-indexing-chemistry-on-your-mac/\">blogged</a>\nabout his <a href=\"http://geoffhutchison.net/projects/chem/\">OS/X ChemSpotLight</a>, an indexing tool for chemistry documents. It’s like,\nbut more advanced than, the <a href=\"http://www.kde-apps.org/content/show.php?content=28995\">kfile_chemical</a> and\n<a href=\"http://kat.mandriva.com/\">Kat</a> I have been working on (with others) for the\n<a href=\"https://kde.org/\">KDE <i class=\"fa-solid fa-recycle fa-xs\"></i></a> desktop (see earlier blog items).</p>\n\n<p>ChemSpotLight currently does more than the KDE tools: it adds Spotlight comments. I assume these are like the Linux\n<a href=\"http://wiki.linuxquestions.org/wiki/Extended_attributes\">extended attributes</a>, used for example by\n<a href=\"http://beaglewiki.org/Main_Page\">Beagle</a>. For example, a file indexed by Beagle will have extended attributes like:</p>\n\n<div class=\"language-plaintext highlighter-rouge\"><div class=\"highlight\"><pre class=\"highlight\"><code># file: home/egonw/m43.jpg\nuser.Beagle.AttrTime=\"20060509071950\"\nuser.Beagle.Filter=\"003 Beagle.Filters.FilterJpeg\"\nuser.Beagle.Fingerprint=\"02 xHn5Yi58x0eoI8ityBYkUw\"\nuser.Beagle.MTime=\"20031225151016\"\nuser.Beagle.Uid=\"YcIW72RWyk+K5FbGnpv4iA\"\n</code></pre></div></div>\n\n<p>This is very suitable for adding metadata, like comments as in ChemSpotLight. Geoff’s program adds metadata like number of\natoms and bond, but it calculates the <a href=\"http://www.daylight.com/smiles/\">SMILES</a> and <a href=\"http://www.iupac.org/inchi/\">InChI</a>\non the fly too. Especially the last is very good for indexing purposes, as it is a really unique identifier for molecular\nstructures, and even works for <a href=\"https://chem-bla-ics.linkedchemistry.info/2006/03/31/inchis-in-latex-and-cdk-news.html\">proteins <i class=\"fa-solid fa-recycle fa-xs\"></i></a>.</p>\n\n<p>Now, kfile_chemical is a kfile plugin. These kfile plugins only extract metadata from files, and have little to do with\ncalculated metadata. Kat, on the other hand, is an indexing application and might be expected to add additional, derived\nor calculated, metadata as extended attributes, just like Beagle does. And then InChI and SMILES are good candidates.</p>",
      "summary": "Geoff Hutchinson blogged about his OS/X ChemSpotLight, an indexing tool for chemistry documents. It’s like, but more advanced than, the kfile_chemical and Kat I have been working on (with others) for the KDE desktop (see earlier blog items).",
      
      "date_published": "2006-05-26T00:00:00+00:00",
      "date_modified": "2025-02-15T00:00:00+00:00",
      "tags": ["kde","cheminf","inchi"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}