{"action":"opened","issue":{"url":"https://api.github.com/repos/GreenGroup/RMG-Py/issues/382","labels_url":"https://api.github.com/repos/GreenGroup/RMG-Py/issues/382/labels{/name}","comments_url":"https://api.github.com/repos/GreenGroup/RMG-Py/issues/382/comments","events_url":"https://api.github.com/repos/GreenGroup/RMG-Py/issues/382/events","html_url":"https://github.com/GreenGroup/RMG-Py/issues/382","id":75418431,"number":382,"title":"intra_substitutionCS_isomerization not working","user":{"login":"connie","id":583115,"avatar_url":"https://avatars.githubusercontent.com/u/583115?v=3","gravatar_id":"","url":"https://api.github.com/users/connie","html_url":"https://github.com/connie","followers_url":"https://api.github.com/users/connie/followers","following_url":"https://api.github.com/users/connie/following{/other_user}","gists_url":"https://api.github.com/users/connie/gists{/gist_id}","starred_url":"https://api.github.com/users/connie/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/connie/subscriptions","organizations_url":"https://api.github.com/users/connie/orgs","repos_url":"https://api.github.com/users/connie/repos","events_url":"https://api.github.com/users/connie/events{/privacy}","received_events_url":"https://api.github.com/users/connie/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":0,"created_at":"2015-05-12T01:30:36Z","updated_at":"2015-05-12T01:30:36Z","closed_at":null,"body":"This family template uses the reversible reaction template XSYJ -> XSYJ\r\n\r\nHowever, the head node requires a reactant that fits a group such as this XSR3J:\r\n\r\n    1 *3 R!H u1 {2,[S,D]}\r\n    2 *2 Ss  u0 {1,[S,D]} {3,S}\r\n    3 *1 C   u0 {2,S}\r\n\r\nAnd the reaction recipe states \r\n\r\n    recipe(actions=[\r\n    ['BREAK_BOND', '*1', 'S', '*2'],\r\n    ['FORM_BOND', '*1', 'S', '*3'],\r\n    ['GAIN_RADICAL', '*2', '1'],\r\n    ['LOSE_RADICAL', '*3', '1'],\r\n    ])\r\n\r\nWe see that the Sulfur atom gains a radical, and the R!H group loses a radical in the process.  When we then try to reverse this template, it no longer works because the Sulfur now contains a radical and is no longer isomorphic to the XSYJ group.  So does this mean that this family is not reversible?\r\n\r\nSome investigation shows that in RMG-Java using the PopulateReactions module the reaction only shows up when the reactant is present in the forward direction, but not when the product is present.  This also shows that the template is not reversible as is.  Maybe all we need is to write in a reverse template?"}}