MOE (Molecular Operating Environment) is a fully integrated drug discovery software package. The vendor website gives an overview of the product<\/a>.<\/p>\n A number of versions are available – see ‘Setup Procedure’ below.<\/p>\n This software is licensed for use by Dr Richard Bryce’s group only. You must be in the Only one person may run the software at once anywhere on campus. i.e. two incline users cannot use it at the same time, and equally an incline user and a desktop user or CSF user cannot use it at the same time. If the software is already in use you will see the error:<\/p>\n To access the software please load the appropriate modulefile (most recent version listed first): <\/p>\n MOE is primarily a visualisation tool so you will need to connect to the incline using: <\/p>\n to have the display exported to your local desktop. See further information about how to start X-Windows and GUI applications on the CSF<\/a>.<\/p>\n Once you are logged in you can start MOE with the command:<\/p>\n The Documentation, including tutorials, and release notes is available via the ‘Help’ menu of the GUI. This documentation is searchable.<\/p>\n 2014.09 was patched April 2015 – referred to as 2014.0901 above but loaded using the same modulefile as before.<\/p>\n 2014.09 was installed Dec 2014.<\/p>\n","protected":false},"excerpt":{"rendered":" Overview MOE (Molecular Operating Environment) is a fully integrated drug discovery software package. The vendor website gives an overview of the product. A number of versions are available – see ‘Setup Procedure’ below. Restrictions on use This software is licensed for use by Dr Richard Bryce’s group only. You must be in the moe unix group to access the software. Only one person may run the software at once anywhere on campus. i.e. two incline.. Read more »<\/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-205","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/pages\/205","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=205"}],"version-history":[{"count":11,"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/pages\/205\/revisions"}],"predecessor-version":[{"id":717,"href":"https:\/\/ri.itservices.manchester.ac.uk\/icsf\/wp-json\/wp\/v2\/pages\/205\/revisions\/717"}],"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=205"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}Restrictions on use<\/h2>\n
moe<\/code> unix group to access the software.<\/p>\n\r\n----------\r\nmoe: Can't check out license 'moe 2012.10':\r\n\r\nLicensed number of users already reached (-4)\r\n\r\n----------\r\n<\/pre>\n
Set up procedure<\/h2>\n
\r\nmodule load apps\/binapps\/moe\/2016.0801 (16 March 2017 - not working, under investigation)\r\nmodule load apps\/binapps\/moe\/2016.08\r\nmodule load apps\/binapps\/moe\/2015.1001\r\nmodule load apps\/binapps\/moe\/2015.10\r\nmodule load apps\/binapps\/moe\/2014.09\r\nmodule load apps\/binapps\/moe\/2013.08\r\nmodule load apps\/binapps\/moe\/2012.10\r\nmodule load apps\/binapps\/moe\/2011.10\r\n<\/pre>\n
Running the application<\/h2>\n
\r\nssh -X username@incline.itservices.manchester.ac.uk\r\n #\r\n # That's an UPPERcase X\r\n<\/pre>\n
\r\nmoe &\r\n<\/pre>\n
&<\/code> will return your incline prompt to you, and keep the MOE GUI running.<\/p>\nFurther info<\/h2>\n
Updates<\/h2>\n