{"id":5097,"date":"2016-03-29T12:18:00","date_gmt":"2016-03-29T16:18:00","guid":{"rendered":"http:\/\/irreal.org\/blog\/?p=5097"},"modified":"2016-03-29T12:18:03","modified_gmt":"2016-03-29T16:18:03","slug":"molecule-representations-in-org-mode","status":"publish","type":"post","link":"https:\/\/irreal.org\/blog\/?p=5097","title":{"rendered":"Molecule Representations in Org Mode"},"content":{"rendered":"<p> This will be of no use to most of us but it&#8217;s so darn neat I had to write about. John Kitchin, who&#8217;s a genius a finding ways to move nearly everything into Org mode, has a blog post on <a href=\"http:\/\/kitchingroup.cheme.cmu.edu\/blog\/2016\/03\/26\/A-molecule-link-for-org-mode\/\">drawing molecule representations in Org<\/a>. Kitchin, of course, is a chemical engineer so this is something very useful for him, especially since his group uses Org to write most of their papers. <\/p>\n<p> Sure, you can argue that all the real work is being done by <a href=\"https:\/\/en.wikipedia.org\/wiki\/Simplified_molecular-input_line-entry_system\">SMILES<\/a> and <a href=\"https:\/\/openbabel.org\/docs\/dev\/index.html\">Open Babel<\/a> but what&#8217;s nice about this approach is that it brings everything into Org, which has important reproducible research and organizational consequences. In a <a href=\"http:\/\/kitchingroup.cheme.cmu.edu\/blog\/2016\/03\/28\/Another-approach-to-embedded-molecular-data-in-org-mode\/?utm_source=feedburner&amp;utm_medium=twitter&amp;utm_campaign=Feed:+TheKitchinResearchGroup+(The+Kitchin+Research+Group)\">subsequent post<\/a>, Kitchin explores another method of doing the same thing. <\/p>\n<p> As I say, most of us won&#8217;t have a use for this but it is neat and it does show how flexible Org is and that it can meet much more of your publishing needs than you might imagine. <\/p>\n","protected":false},"excerpt":{"rendered":"<p>This will be of no use to most of us but it&#8217;s so darn neat I had to write about. John Kitchin, who&#8217;s a genius a finding ways to move nearly everything into Org mode, has a blog post on &hellip; <a href=\"https:\/\/irreal.org\/blog\/?p=5097\">Continue reading <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[5],"tags":[18,4],"class_list":["post-5097","post","type-post","status-publish","format-standard","hentry","category-general","tag-emacs","tag-org-mode"],"_links":{"self":[{"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=\/wp\/v2\/posts\/5097","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=5097"}],"version-history":[{"count":1,"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=\/wp\/v2\/posts\/5097\/revisions"}],"predecessor-version":[{"id":5098,"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=\/wp\/v2\/posts\/5097\/revisions\/5098"}],"wp:attachment":[{"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=5097"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=5097"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/irreal.org\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=5097"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}