MOLDEN is a pre- and post processing program of molecular and electronic structure, developed by G.Schaftenaar at CMBI, in the Netherlands.<\/p>\n
MOLDEN 5.9.2 and 7.3 are available on CSF3 and were compiled with gcc 11.4.0<\/p>\n
There are no restrictions on access to MOLDEN but users should read and observe the Copyright notice<\/a>.<\/p>\n You will need to connect to the CSF using The software is launched using the command If you need to run the software for more than a few minutes using significant CPU or memory resources you may be requested to run it via a compute node using srun-x11<\/a>.<\/p>\n Detailed information about using the software can be found on the MOLDEN website<\/a>.<\/p>\n Version 7.3 was compiled for the CSF3 05\/2025 Overview MOLDEN is a pre- and post processing program of molecular and electronic structure, developed by G.Schaftenaar at CMBI, in the Netherlands. MOLDEN 5.9.2 and 7.3 are available on CSF3 and were compiled with gcc 11.4.0 Restrictions on use There are no restrictions on access to MOLDEN but users should read and observe the Copyright notice. Set up procedure You will need to connect to the CSF using ssh -X to have the display exported.. Read more »<\/a><\/p>\n","protected":false},"author":7,"featured_media":0,"parent":86,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-2121","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages\/2121","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/users\/7"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/comments?post=2121"}],"version-history":[{"count":13,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages\/2121\/revisions"}],"predecessor-version":[{"id":11144,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages\/2121\/revisions\/11144"}],"up":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages\/86"}],"wp:attachment":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/media?parent=2121"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}Set up procedure<\/h2>\n
ssh -X<\/code> to have the display exported to your local machine (MAC-OS and Linux)<\/a> or by using MobaXterm on Windows<\/a>. You should then load one<\/strong> of the MOLDEN modulefiles:<\/p>\n\r\nmodule load apps\/gcc\/molden\/7.3\r\nmodule load apps\/gcc\/molden\/5.9.2\r\n<\/pre>\n
Running the application<\/h2>\n
molden<\/code>.<\/p>\n\r\n# Start a 1-hour interactive (with graphics) shell\r\nsrun-x11 -p interactive -t 0-1 \r\n\r\nmodule purge\r\nmodule load apps\/gcc\/molden\/7.3\r\nmolden\r\n<\/pre>\n
Further info<\/h2>\n
Updates<\/h2>\n
\nVersion 5.9.2 was released on 20\/12\/2018<\/p>\n","protected":false},"excerpt":{"rendered":"