{"id":203,"date":"2014-01-21T09:05:24","date_gmt":"2014-01-21T09:05:24","guid":{"rendered":"http:\/\/ri.itservices.manchester.ac.uk\/icsf\/?page_id=203"},"modified":"2019-10-18T15:03:56","modified_gmt":"2019-10-18T15:03:56","slug":"goldsuite","status":"publish","type":"page","link":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/software\/applications\/goldsuite\/","title":{"rendered":"goldsuite"},"content":{"rendered":"<h2>Overview<\/h2>\n<p>The GOLD Suite provides a complete solution for docking small molecules in protein binding sites. The Suite includes software tools for structure visualisation and manipulation (Hermes), for protein-ligand docking (GOLD) and for post-processing (GoldMine) and visualisation of docking results.<\/p>\n<p>Version 5.3 and 5.2 are installed. (22.10.13 &#8211; 5.1 no longer works and access to it has been removed.)<\/p>\n<p>Versions 5.7.0 is available as part of the <a href=\"\/csf3\/software\/applications\/csd\/\">CSD-System software<\/a>.<\/p>\n<h2>Restrictions on use<\/h2>\n<p>This software is restricted to one research group. Users need to be added to a unix group to gain access. Please contract &#x69;&#x74;&#115;-r&#x69;&#x2d;&#116;&#101;a&#x6d;&#x40;&#109;&#97;n&#x63;&#x68;&#x65;&#115;te&#x72;&#x2e;&#97;&#99;&#46;&#x75;&#x6b; if you believe you are entitled to use this application.<\/p>\n<h2>Set up procedure<\/h2>\n<p>To access the software you must first load the appropriate modulefile:<\/p>\n<pre>\r\nmodule load apps\/binapps\/goldsuite\/5.3\r\n<\/pre>\n<pre>\r\nmodule load apps\/binapps\/goldsuite\/5.2\r\n<\/pre>\n<h2>Running the application<\/h2>\n<ol>\n<li>Ensure you have connected to the iCSF with <a href=\"http:\/\/ri.itservices.manchester.ac.uk\/csf\/getting-started-on-the-csf\/using-an-app-with-a-gui-x11-and-qrsh\/\">X11 forwarding enabled<\/a>.\n<li>Load the modulefile.\n<li>To start the software use the command:\n<pre>\r\ngold\r\n<\/pre>\n<\/li>\n<li>When you have finished make sure you close the application, and the terminal.<\/li>\n<\/ol>\n<h2>Further info<\/h2>\n<ul>\n<li><a href=\"http:\/\/www.ccdc.cam.ac.uk\/Solutions\/GoldSuite\/pages\/GoldSuite.aspx\">CCDC Gold Suite website<\/a><\/li>\n<li>Documentation is available via the &#8216;Help&#8217; menu in the application and <a href=\"http:\/\/www.ccdc.cam.ac.uk\/SupportandResources\/Support\/Documentation\/pages\/DownloadDocumentation.aspx?p=1\">online<\/a>\n<\/ul>\n<h2>Updates<\/h2>\n<p>Dec 2014 &#8211; 5.3 installed.<br \/>\n22.10.13 &#8211; 5.1 no longer works and access to it has been removed. 5.2 has been installed.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Overview The GOLD Suite provides a complete solution for docking small molecules in protein binding sites. The Suite includes software tools for structure visualisation and manipulation (Hermes), for protein-ligand docking (GOLD) and for post-processing (GoldMine) and visualisation of docking results. Version 5.3 and 5.2 are installed. (22.10.13 &#8211; 5.1 no longer works and access to it has been removed.) Versions 5.7.0 is available as part of the CSD-System software. Restrictions on use This software is.. <a href=\"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/software\/applications\/goldsuite\/\">Read more &raquo;<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":43,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-203","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/pages\/203","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/comments?post=203"}],"version-history":[{"count":7,"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/pages\/203\/revisions"}],"predecessor-version":[{"id":1007,"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/pages\/203\/revisions\/1007"}],"up":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/pages\/43"}],"wp:attachment":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/media?parent=203"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}