{"action":"created","issue":{"url":"https://api.github.com/repos/polyluxus/runxtb.bash/issues/11","repository_url":"https://api.github.com/repos/polyluxus/runxtb.bash","labels_url":"https://api.github.com/repos/polyluxus/runxtb.bash/issues/11/labels{/name}","comments_url":"https://api.github.com/repos/polyluxus/runxtb.bash/issues/11/comments","events_url":"https://api.github.com/repos/polyluxus/runxtb.bash/issues/11/events","html_url":"https://github.com/polyluxus/runxtb.bash/issues/11","id":318115728,"node_id":"MDU6SXNzdWUzMTgxMTU3Mjg=","number":11,"title":"Add post-processing (e.g.  renaming of molden.input)","user":{"login":"polyluxus","id":19774680,"node_id":"MDQ6VXNlcjE5Nzc0Njgw","avatar_url":"https://avatars3.githubusercontent.com/u/19774680?v=4","gravatar_id":"","url":"https://api.github.com/users/polyluxus","html_url":"https://github.com/polyluxus","followers_url":"https://api.github.com/users/polyluxus/followers","following_url":"https://api.github.com/users/polyluxus/following{/other_user}","gists_url":"https://api.github.com/users/polyluxus/gists{/gist_id}","starred_url":"https://api.github.com/users/polyluxus/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/polyluxus/subscriptions","organizations_url":"https://api.github.com/users/polyluxus/orgs","repos_url":"https://api.github.com/users/polyluxus/repos","events_url":"https://api.github.com/users/polyluxus/events{/privacy}","received_events_url":"https://api.github.com/users/polyluxus/received_events","type":"User","site_admin":false},"labels":[{"id":832290589,"node_id":"MDU6TGFiZWw4MzIyOTA1ODk=","url":"https://api.github.com/repos/polyluxus/runxtb.bash/labels/enhancement","name":"enhancement","color":"a2eeef","default":true}],"state":"closed","locked":false,"assignee":{"login":"polyluxus","id":19774680,"node_id":"MDQ6VXNlcjE5Nzc0Njgw","avatar_url":"https://avatars3.githubusercontent.com/u/19774680?v=4","gravatar_id":"","url":"https://api.github.com/users/polyluxus","html_url":"https://github.com/polyluxus","followers_url":"https://api.github.com/users/polyluxus/followers","following_url":"https://api.github.com/users/polyluxus/following{/other_user}","gists_url":"https://api.github.com/users/polyluxus/gists{/gist_id}","starred_url":"https://api.github.com/users/polyluxus/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/polyluxus/subscriptions","organizations_url":"https://api.github.com/users/polyluxus/orgs","repos_url":"https://api.github.com/users/polyluxus/repos","events_url":"https://api.github.com/users/polyluxus/events{/privacy}","received_events_url":"https://api.github.com/users/polyluxus/received_events","type":"User","site_admin":false},"assignees":[{"login":"polyluxus","id":19774680,"node_id":"MDQ6VXNlcjE5Nzc0Njgw","avatar_url":"https://avatars3.githubusercontent.com/u/19774680?v=4","gravatar_id":"","url":"https://api.github.com/users/polyluxus","html_url":"https://github.com/polyluxus","followers_url":"https://api.github.com/users/polyluxus/followers","following_url":"https://api.github.com/users/polyluxus/following{/other_user}","gists_url":"https://api.github.com/users/polyluxus/gists{/gist_id}","starred_url":"https://api.github.com/users/polyluxus/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/polyluxus/subscriptions","organizations_url":"https://api.github.com/users/polyluxus/orgs","repos_url":"https://api.github.com/users/polyluxus/repos","events_url":"https://api.github.com/users/polyluxus/events{/privacy}","received_events_url":"https://api.github.com/users/polyluxus/received_events","type":"User","site_admin":false}],"milestone":null,"comments":0,"created_at":"2018-04-26T16:55:42Z","updated_at":"2019-02-14T13:32:59Z","closed_at":"2019-02-14T13:32:59Z","author_association":"OWNER","body":"If a molden input `molden.input` has been written, use the name of the job and rename the file `<jobname>.molden`.  \r\nThis should make post processing with ChemCraft easier.\r\n\r\nAdditional thoughts might be to invoke openbabel to transform an input file (e.g. gjf) to xyz."},"comment":{"url":"https://api.github.com/repos/polyluxus/runxtb.bash/issues/comments/463627865","html_url":"https://github.com/polyluxus/runxtb.bash/issues/11#issuecomment-463627865","issue_url":"https://api.github.com/repos/polyluxus/runxtb.bash/issues/11","id":463627865,"node_id":"MDEyOklzc3VlQ29tbWVudDQ2MzYyNzg2NQ==","user":{"login":"polyluxus","id":19774680,"node_id":"MDQ6VXNlcjE5Nzc0Njgw","avatar_url":"https://avatars3.githubusercontent.com/u/19774680?v=4","gravatar_id":"","url":"https://api.github.com/users/polyluxus","html_url":"https://github.com/polyluxus","followers_url":"https://api.github.com/users/polyluxus/followers","following_url":"https://api.github.com/users/polyluxus/following{/other_user}","gists_url":"https://api.github.com/users/polyluxus/gists{/gist_id}","starred_url":"https://api.github.com/users/polyluxus/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/polyluxus/subscriptions","organizations_url":"https://api.github.com/users/polyluxus/orgs","repos_url":"https://api.github.com/users/polyluxus/repos","events_url":"https://api.github.com/users/polyluxus/events{/privacy}","received_events_url":"https://api.github.com/users/polyluxus/received_events","type":"User","site_admin":false},"created_at":"2019-02-14T13:32:59Z","updated_at":"2019-02-14T13:32:59Z","author_association":"OWNER","body":"submission:\r\nhttps://github.com/polyluxus/runxtb.bash/blob/41f960db323ccdb333dde95944f6c262d3b205ed/runxtb.sh#L517\r\n\r\ninteractive:\r\nhttps://github.com/polyluxus/runxtb.bash/blob/41f960db323ccdb333dde95944f6c262d3b205ed/runxtb.sh#L835"}}
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