{"action":"created","issue":{"url":"https://api.github.com/repos/ParmEd/ParmEd/issues/634","repository_url":"https://api.github.com/repos/ParmEd/ParmEd","labels_url":"https://api.github.com/repos/ParmEd/ParmEd/issues/634/labels{/name}","comments_url":"https://api.github.com/repos/ParmEd/ParmEd/issues/634/comments","events_url":"https://api.github.com/repos/ParmEd/ParmEd/issues/634/events","html_url":"https://github.com/ParmEd/ParmEd/pull/634","id":139117471,"number":634,"title":"add write_ident_res for monoatomic ions","user":{"login":"rafwiewiora","id":12088757,"avatar_url":"https://avatars.githubusercontent.com/u/12088757?v=3","gravatar_id":"","url":"https://api.github.com/users/rafwiewiora","html_url":"https://github.com/rafwiewiora","followers_url":"https://api.github.com/users/rafwiewiora/followers","following_url":"https://api.github.com/users/rafwiewiora/following{/other_user}","gists_url":"https://api.github.com/users/rafwiewiora/gists{/gist_id}","starred_url":"https://api.github.com/users/rafwiewiora/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/rafwiewiora/subscriptions","organizations_url":"https://api.github.com/users/rafwiewiora/orgs","repos_url":"https://api.github.com/users/rafwiewiora/repos","events_url":"https://api.github.com/users/rafwiewiora/events{/privacy}","received_events_url":"https://api.github.com/users/rafwiewiora/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":4,"created_at":"2016-03-07T22:45:21Z","updated_at":"2016-03-08T02:12:12Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/ParmEd/ParmEd/pulls/634","html_url":"https://github.com/ParmEd/ParmEd/pull/634","diff_url":"https://github.com/ParmEd/ParmEd/pull/634.diff","patch_url":"https://github.com/ParmEd/ParmEd/pull/634.patch"},"body":"This is my proposal for https://github.com/ParmEd/ParmEd/issues/629\r\n\r\nFeel free to reject completely of course - this is just for faster illustration that talking in issues. \r\n\r\nIt's not the most elegant thing in the world - but I think it belongs here. Happy to move over to the conversion script too."},"comment":{"url":"https://api.github.com/repos/ParmEd/ParmEd/issues/comments/193557410","html_url":"https://github.com/ParmEd/ParmEd/pull/634#issuecomment-193557410","issue_url":"https://api.github.com/repos/ParmEd/ParmEd/issues/634","id":193557410,"user":{"login":"swails","id":779022,"avatar_url":"https://avatars.githubusercontent.com/u/779022?v=3","gravatar_id":"","url":"https://api.github.com/users/swails","html_url":"https://github.com/swails","followers_url":"https://api.github.com/users/swails/followers","following_url":"https://api.github.com/users/swails/following{/other_user}","gists_url":"https://api.github.com/users/swails/gists{/gist_id}","starred_url":"https://api.github.com/users/swails/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/swails/subscriptions","organizations_url":"https://api.github.com/users/swails/orgs","repos_url":"https://api.github.com/users/swails/repos","events_url":"https://api.github.com/users/swails/events{/privacy}","received_events_url":"https://api.github.com/users/swails/received_events","type":"User","site_admin":false},"created_at":"2016-03-08T02:12:12Z","updated_at":"2016-03-08T02:12:12Z","body":"> I like it! But see my line comment re: atomic_number use. Perhaps we should hold off on this until I make the OpenMM changes and we'll make the hash exactly as the criterion that will be used in OpenMM for matching? (I'll do that tomorrow I think)\r\n\r\n100% agree.\r\n\r\n> I'm good with having the three problematic ions hard-coded in the conversion script for now.\r\n>  Show all checks\r\n\r\nThat's fine if you want to.  But I'm good with merging in the hash approach as soon as you have it finished as well.  Up to you."}}