{"action":"closed","issue":{"url":"https://api.github.com/repos/ghutchis/avogadro/issues/399","repository_url":"https://api.github.com/repos/ghutchis/avogadro","labels_url":"https://api.github.com/repos/ghutchis/avogadro/issues/399/labels{/name}","comments_url":"https://api.github.com/repos/ghutchis/avogadro/issues/399/comments","events_url":"https://api.github.com/repos/ghutchis/avogadro/issues/399/events","html_url":"https://github.com/ghutchis/avogadro/issues/399","id":150703203,"number":399,"title":"Conformer Properties","user":{"login":"ghutchis","id":41128,"avatar_url":"https://avatars.githubusercontent.com/u/41128?v=3","gravatar_id":"","url":"https://api.github.com/users/ghutchis","html_url":"https://github.com/ghutchis","followers_url":"https://api.github.com/users/ghutchis/followers","following_url":"https://api.github.com/users/ghutchis/following{/other_user}","gists_url":"https://api.github.com/users/ghutchis/gists{/gist_id}","starred_url":"https://api.github.com/users/ghutchis/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/ghutchis/subscriptions","organizations_url":"https://api.github.com/users/ghutchis/orgs","repos_url":"https://api.github.com/users/ghutchis/repos","events_url":"https://api.github.com/users/ghutchis/events{/privacy}","received_events_url":"https://api.github.com/users/ghutchis/received_events","type":"User","site_admin":false},"labels":[{"url":"https://api.github.com/repos/ghutchis/avogadro/labels/auto-migrated","name":"auto-migrated","color":"ededed"},{"url":"https://api.github.com/repos/ghutchis/avogadro/labels/v_0.9.0","name":"v_0.9.0","color":"ededed"}],"state":"closed","locked":false,"assignee":{"login":"ghutchis","id":41128,"avatar_url":"https://avatars.githubusercontent.com/u/41128?v=3","gravatar_id":"","url":"https://api.github.com/users/ghutchis","html_url":"https://github.com/ghutchis","followers_url":"https://api.github.com/users/ghutchis/followers","following_url":"https://api.github.com/users/ghutchis/following{/other_user}","gists_url":"https://api.github.com/users/ghutchis/gists{/gist_id}","starred_url":"https://api.github.com/users/ghutchis/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/ghutchis/subscriptions","organizations_url":"https://api.github.com/users/ghutchis/orgs","repos_url":"https://api.github.com/users/ghutchis/repos","events_url":"https://api.github.com/users/ghutchis/events{/privacy}","received_events_url":"https://api.github.com/users/ghutchis/received_events","type":"User","site_admin":false},"milestone":null,"comments":0,"created_at":"2009-10-01T20:15:05Z","updated_at":"2016-04-25T19:34:11Z","closed_at":"2016-04-25T19:34:11Z","body":"From Steven Wathen on the mailing list:\r\n\r\nThe highest energy conformer listed (View-Properties-Conformer properties) has an energy of 1190  !!\r\n\r\nAs it turns out, this is the lowest energy conformer - the all-anti conformer.  When I calculate the energy for this structure, I get -5.474 (Extensions-Molecular Mechanics-Calculate Energy)\r\n\r\nIt would be nice if the units for the energy were specified.\r\n\r\nAll the other results from the Conformer Search look reasonable.\r\n\r\nOne other thing I noticed:  You can sort the Conformer results by energy.  It would be nice if you could also sort by Conformer number because it looks pretty. Once you have sorted by energy, the numbering in the left column is  out of order. \r\n\n\nReported by: @ghutchis"}}