{"id":901,"date":"2013-07-25T13:31:24","date_gmt":"2013-07-25T13:31:24","guid":{"rendered":"http:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/?page_id=901"},"modified":"2018-10-18T13:32:24","modified_gmt":"2018-10-18T13:32:24","slug":"goldsuite","status":"publish","type":"page","link":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/goldsuite\/","title":{"rendered":"Gold Suite"},"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>Versions 5.3 is installed. (22.10.13 &#8211; 5.1 no longer works and access to it has been removed. 18.10.18 &#8211; 5.2 no longer works and access to it has been removed.)<\/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 <a href=\"&#109;&#x61;i&#108;&#x74;o&#58;&#x69;t&#115;&#x2d;r&#105;&#x2d;&#116;&#x65;&#x61;&#109;&#x40;&#x6d;&#97;&#x6e;c&#104;&#x65;s&#116;&#x65;r&#46;&#x61;c&#46;&#x75;&#107;\">&#x69;t&#x73;&#45;&#x72;&#105;&#x2d;&#x74;e&#x61;&#109;&#x40;&#109;&#x61;&#110;c&#x68;&#101;&#x73;&#116;&#x65;&#114;&#46;&#x61;&#99;&#x2e;&#117;&#x6b;<\/a> 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>module load apps\/binapps\/goldsuite\/5.3\r\n\r\n<\/pre>\n<h2>Running the application<\/h2>\n<p>It is not possible to run this software on the login node. You <strong>must<\/strong> use it via <code>qrsh<\/code> as follows:<\/p>\n<ol>\n<li>Ensure you have connected to the CSF with <a href=\"http:\/\/ri.itservices.manchester.ac.uk\/csf2\/getting-started-on-the-csf\/using-an-app-with-a-gui-x11-and-qrsh\/\">X11 forwarding enabled<\/a>.<\/li>\n<li>Load the modulefile.<\/li>\n<li>Open a terminal on a compute node via <code>qrsh<\/code>:\n<pre>qrsh -V -l short -l inter xterm\r\n<\/pre>\n<\/li>\n<li>Then in the new terminal start the software:\n<pre>gold\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><\/li>\n<\/ul>\n<h2>Updates<\/h2>\n<p>22.10.13 &#8211; 5.1 no longer works and access to it has been removed. 5.2 has been installed.<\/p>\n<p>18.10.13 &#8211; 5.2\u00a0no longer works and access to it has been removed.<\/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. Versions 5.3 is installed. (22.10.13 &#8211; 5.1 no longer works and access to it has been removed. 18.10.18 &#8211; 5.2 no longer works and access to it has been removed.) Restrictions on use This software.. <a href=\"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/goldsuite\/\">Read more &raquo;<\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":31,"menu_order":0,"comment_status":"open","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-901","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/901","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/comments?post=901"}],"version-history":[{"count":20,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/901\/revisions"}],"predecessor-version":[{"id":4875,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/901\/revisions\/4875"}],"up":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/31"}],"wp:attachment":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/media?parent=901"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}