{"id":14,"date":"2018-12-14T00:43:17","date_gmt":"2018-12-14T00:43:17","guid":{"rendered":"https:\/\/ccsb.scripps.edu\/ccsb-3\/?page_id=14"},"modified":"2021-12-14T19:36:45","modified_gmt":"2021-12-14T19:36:45","slug":"autodock-crankpep","status":"publish","type":"page","link":"https:\/\/ccsb.scripps.edu\/mgltools\/","title":{"rendered":"Homepage"},"content":{"rendered":"<div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-1 nonhundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row\"><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-0 fusion_builder_column_1_1 1_1 fusion-one-full fusion-column-first fusion-column-last\" style=\"--awb-bg-size:cover;\"><div class=\"fusion-column-wrapper fusion-flex-column-wrapper-legacy\"><div class=\"fusion-title title fusion-title-1 fusion-sep-none fusion-title-text fusion-title-size-one\" style=\"--awb-margin-top-small:10px;--awb-margin-right-small:0px;--awb-margin-bottom-small:10px;--awb-margin-left-small:0px;\"><h1 class=\"fusion-title-heading title-heading-left\" style=\"margin:0;\"><h3>Homepage Title<\/h3><\/h1><\/div><div class=\"fusion-clearfix\"><\/div><\/div><\/div><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-1 fusion_builder_column_2_3 2_3 fusion-two-third fusion-column-first\" style=\"--awb-bg-size:cover;width:66.666666666667%;width:calc(66.666666666667% - ( ( 4% ) * 0.66666666666667 ) );margin-right: 4%;\"><div class=\"fusion-column-wrapper fusion-flex-column-wrapper-legacy\"><div class=\"fusion-text fusion-text-1\"><p><span style=\"color: #ff0000;\"><em><span style=\"color: #ff0000;\">NOTE: MAC users please note that <strong>MGLTools is NOT working under the Catalina OS<\/strong>. We strongly advise to refrain from upgrading your OS to Catalina. We will send email to the mailing list if and when MGLTools or an alternative will be available for this version of Mac OS. If you already are using Catalina, we recommend\u00a0install <a href=\"https:\/\/www.virtualbox.org\/wiki\/Downloads\">VirtualBox<\/a> and running MGLtools inside the virtual box.<\/span><\/em><\/span><\/p>\n<p>Thew MGLTools software suite was developed in the Sanner lab at the Center for Computational Structural Biology (CCRB) formerly known as the <span class=\"link-external\"><a href=\"http:\/\/mgl.scripps.edu\/\" target=\"_self\" rel=\"noopener noreferrer\">Molecular Graphics Laboratory (MGL)<\/a><\/span>\u00a0of\u00a0<span class=\"link-external\"><a href=\"http:\/\/www.scripps.edu\/\" target=\"_self\" rel=\"noopener noreferrer\">The Scripps Research Institute<\/a><\/span>\u00a0for visualization and analysis of molecular structures. Navigation portlet on the left has links to downloads, screenshots, documentation section of this website where you can find more information about MGLTools. MGLTools comprises:<\/p>\n<ul>\n<li>the Python Molecular Viewer (PMV), a general purpose molecular viewer<\/li>\n<li>AutoDockTools (ADT) a set of PMV commands specifically developed to support AutoDock users<\/li>\n<li>Vision, a visual programing environment.<\/li>\n<\/ul>\n<p>These software tools are highly integrated and based on reusable software components implemented in Python and C++ (With Python bindings). The underlying Graphical Tool Kit is Tk.<\/p>\n<p>While still widely used, we have shifting the development of our Graphical User Interfaces to Qt and we will gradually replace these tools with Qt-based versions. The first such new tools is <a href=\"http:\/\/agfr.scripps.edu\">AGFR<\/a>, a tool for specifying, computing and visualizing AutoDock affinity maps.<\/p>\n<p>The latest version of MGLtools is 1.5.7 which provides:<\/p>\n<ul>\n<li>a redesigned dashboard widget<\/li>\n<li>a sequence viewer widget<\/li>\n<li>performance optimizations<\/li>\n<li>new commands for superimposition and RMSD calculations<\/li>\n<\/ul>\n<h2>MSMS<\/h2>\n<p>MSMS can be downloaded independently of mgltools.<\/p>\n<p><a href=\"http:\/\/ccsb.scripps.edu\/msms\">Download MSMS binaries here<\/a><\/p>\n<\/div><div class=\"fusion-clearfix\"><\/div><\/div><\/div><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-2 fusion_builder_column_1_3 1_3 fusion-one-third fusion-column-last\" style=\"--awb-bg-size:cover;width:33.333333333333%;width:calc(33.333333333333% - ( ( 4% ) * 0.33333333333333 ) );\"><div class=\"fusion-column-wrapper fusion-flex-column-wrapper-legacy\"><div class=\"fusion-image-element in-legacy-container\" style=\"--awb-caption-title-font-family:var(--h2_typography-font-family);--awb-caption-title-font-weight:var(--h2_typography-font-weight);--awb-caption-title-font-style:var(--h2_typography-font-style);--awb-caption-title-size:var(--h2_typography-font-size);--awb-caption-title-transform:var(--h2_typography-text-transform);--awb-caption-title-line-height:var(--h2_typography-line-height);--awb-caption-title-letter-spacing:var(--h2_typography-letter-spacing);\"><span class=\" fusion-imageframe imageframe-none imageframe-1 hover-type-none\"><img decoding=\"async\" width=\"1902\" height=\"1136\" title=\"pmv157\" src=\"https:\/\/ccsb.scripps.edu\/mgltools\/wp-content\/uploads\/sites\/42\/2019\/07\/pmv157.png\" alt class=\"img-responsive wp-image-274\" srcset=\"https:\/\/ccsb.scripps.edu\/mgltools\/wp-content\/uploads\/sites\/42\/2019\/07\/pmv157-200x119.png 200w, https:\/\/ccsb.scripps.edu\/mgltools\/wp-content\/uploads\/sites\/42\/2019\/07\/pmv157-400x239.png 400w, https:\/\/ccsb.scripps.edu\/mgltools\/wp-content\/uploads\/sites\/42\/2019\/07\/pmv157-600x358.png 600w, https:\/\/ccsb.scripps.edu\/mgltools\/wp-content\/uploads\/sites\/42\/2019\/07\/pmv157-800x478.png 800w, https:\/\/ccsb.scripps.edu\/mgltools\/wp-content\/uploads\/sites\/42\/2019\/07\/pmv157-1200x717.png 1200w, https:\/\/ccsb.scripps.edu\/mgltools\/wp-content\/uploads\/sites\/42\/2019\/07\/pmv157.png 1902w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/><\/span><\/div><div class=\"fusion-clearfix\"><\/div><\/div><\/div><\/div><\/div>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-14","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ccsb.scripps.edu\/mgltools\/wp-json\/wp\/v2\/pages\/14","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ccsb.scripps.edu\/mgltools\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ccsb.scripps.edu\/mgltools\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ccsb.scripps.edu\/mgltools\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/ccsb.scripps.edu\/mgltools\/wp-json\/wp\/v2\/comments?post=14"}],"version-history":[{"count":46,"href":"https:\/\/ccsb.scripps.edu\/mgltools\/wp-json\/wp\/v2\/pages\/14\/revisions"}],"predecessor-version":[{"id":487,"href":"https:\/\/ccsb.scripps.edu\/mgltools\/wp-json\/wp\/v2\/pages\/14\/revisions\/487"}],"wp:attachment":[{"href":"https:\/\/ccsb.scripps.edu\/mgltools\/wp-json\/wp\/v2\/media?parent=14"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}