{"id":158,"date":"2021-08-14T17:51:48","date_gmt":"2021-08-14T17:51:48","guid":{"rendered":"https:\/\/kaviaari.kapsi.fi\/wordpress\/?page_id=158"},"modified":"2021-08-14T17:54:44","modified_gmt":"2021-08-14T17:54:44","slug":"software","status":"publish","type":"page","link":"https:\/\/kaviaari.kapsi.fi\/wordpress\/software\/","title":{"rendered":"Software"},"content":{"rendered":"\n<p>Our group works on development of smaller and larger software tools that are useful for practicing synthetic organic chemists.<\/p>\n\n\n\n<h4 class=\"wp-block-heading\"><strong>Browser tools<\/strong><\/h4>\n\n\n\n<h4 class=\"wp-block-heading\"><a href=\"http:\/\/kaviaari.kapsi.fi\/nmr.html\">First order&nbsp;<sup>1<\/sup>H&nbsp;<em>J<\/em>-coupling simulator \u2192<\/a><\/h4>\n\n\n\n<p>An online tool for simulating and visualizing first order&nbsp;<em>J<\/em>-couplings in&nbsp;<sup>1<\/sup>H NMR spectrums. Very handy when teaching first order coupling to students.<\/p>\n\n\n\n<h4 class=\"wp-block-heading\"><a href=\"http:\/\/kaviaari.kapsi.fi\/ee_er.html\">The&nbsp;<em>ee<\/em>\/er\/\u0394\u0394G<sup>\u2021<\/sup>&nbsp;converter \u2192<\/a><\/h4>\n\n\n\n<p>Converting between enantiomeric excess, enantiomeric ratio and \u0394\u0394G<sup>\u2021<\/sup>\u00a0has never been this easy!<\/p>\n\n\n\n<h4 class=\"wp-block-heading\"><strong>Command line tools<\/strong><\/h4>\n\n\n\n<h4 class=\"wp-block-heading\"><a href=\"http:\/\/siitonen.blogs.rice.edu\/tools-etc\/orca-orbital-parser\/\">Orca orbital energy parser\u2192<\/a><\/h4>\n\n\n\n<p>Command line tool for parsing orbital energies from orca output files.<\/p>\n\n\n\n<h4 class=\"wp-block-heading\"><a href=\"http:\/\/siitonen.blogs.rice.edu\/tools-etc\/crestparse\/\">CrestParse v 0.1 \u2192<\/a><\/h4>\n\n\n\n<p>Command line tool for parsing multi-xyz files produced by crest.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Our group works on development of smaller and larger software tools that are useful for practicing synthetic organic chemists. Browser tools First order&nbsp;1H&nbsp;J-coupling simulator \u2192 An online tool for simulating and visualizing first order&nbsp;J-couplings in&nbsp;1H NMR spectrums. Very handy when&#8230;<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-158","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/kaviaari.kapsi.fi\/wordpress\/wp-json\/wp\/v2\/pages\/158","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/kaviaari.kapsi.fi\/wordpress\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/kaviaari.kapsi.fi\/wordpress\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/kaviaari.kapsi.fi\/wordpress\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/kaviaari.kapsi.fi\/wordpress\/wp-json\/wp\/v2\/comments?post=158"}],"version-history":[{"count":5,"href":"https:\/\/kaviaari.kapsi.fi\/wordpress\/wp-json\/wp\/v2\/pages\/158\/revisions"}],"predecessor-version":[{"id":164,"href":"https:\/\/kaviaari.kapsi.fi\/wordpress\/wp-json\/wp\/v2\/pages\/158\/revisions\/164"}],"wp:attachment":[{"href":"https:\/\/kaviaari.kapsi.fi\/wordpress\/wp-json\/wp\/v2\/media?parent=158"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}