{"action":"closed","issue":{"url":"https://api.github.com/repos/rdkit/rdkit/issues/678","labels_url":"https://api.github.com/repos/rdkit/rdkit/issues/678/labels{/name}","comments_url":"https://api.github.com/repos/rdkit/rdkit/issues/678/comments","events_url":"https://api.github.com/repos/rdkit/rdkit/issues/678/events","html_url":"https://github.com/rdkit/rdkit/issues/678","id":118537697,"number":678,"title":"failure in AddHs when addCoords is true and coords are all zero","user":{"login":"greglandrum","id":540511,"avatar_url":"https://avatars.githubusercontent.com/u/540511?v=3","gravatar_id":"","url":"https://api.github.com/users/greglandrum","html_url":"https://github.com/greglandrum","followers_url":"https://api.github.com/users/greglandrum/followers","following_url":"https://api.github.com/users/greglandrum/following{/other_user}","gists_url":"https://api.github.com/users/greglandrum/gists{/gist_id}","starred_url":"https://api.github.com/users/greglandrum/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/greglandrum/subscriptions","organizations_url":"https://api.github.com/users/greglandrum/orgs","repos_url":"https://api.github.com/users/greglandrum/repos","events_url":"https://api.github.com/users/greglandrum/events{/privacy}","received_events_url":"https://api.github.com/users/greglandrum/received_events","type":"User","site_admin":false},"labels":[{"url":"https://api.github.com/repos/rdkit/rdkit/labels/bug","name":"bug","color":"fc2929"}],"state":"closed","locked":false,"assignee":null,"milestone":{"url":"https://api.github.com/repos/rdkit/rdkit/milestones/11","html_url":"https://github.com/rdkit/rdkit/milestones/2016_03_1","labels_url":"https://api.github.com/repos/rdkit/rdkit/milestones/11/labels","id":1381612,"number":11,"title":"2016_03_1","description":"","creator":{"login":"greglandrum","id":540511,"avatar_url":"https://avatars.githubusercontent.com/u/540511?v=3","gravatar_id":"","url":"https://api.github.com/users/greglandrum","html_url":"https://github.com/greglandrum","followers_url":"https://api.github.com/users/greglandrum/followers","following_url":"https://api.github.com/users/greglandrum/following{/other_user}","gists_url":"https://api.github.com/users/greglandrum/gists{/gist_id}","starred_url":"https://api.github.com/users/greglandrum/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/greglandrum/subscriptions","organizations_url":"https://api.github.com/users/greglandrum/orgs","repos_url":"https://api.github.com/users/greglandrum/repos","events_url":"https://api.github.com/users/greglandrum/events{/privacy}","received_events_url":"https://api.github.com/users/greglandrum/received_events","type":"User","site_admin":false},"open_issues":31,"closed_issues":18,"state":"open","created_at":"2015-10-28T15:10:25Z","updated_at":"2015-12-24T12:52:00Z","due_on":"2016-03-30T22:00:00Z","closed_at":null},"comments":1,"created_at":"2015-11-24T06:05:58Z","updated_at":"2015-12-24T12:52:00Z","closed_at":"2015-12-24T12:52:00Z","body":"```\r\nIn [55]:\r\n\r\nprint(suppl.GetItemText(45))\r\nCHEMBL3186637\r\n\r\n\r\n 37 39  0     1  0  0  0  0  0999 V2000\r\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\r\n    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\r\n  1  8  1  0  0  0  0\r\n  1 19  1  0  0  0  0\r\n  2 20  1  0  0  0  0\r\n  2 25  1  0  0  0  0\r\n  3 19  2  0  0  0  0\r\n  4 24  1  0  0  0  0\r\n  5 25  2  0  0  0  0\r\n  6  7  1  0  0  0  0\r\n  6  8  1  0  0  0  0\r\n  6  9  1  0  0  0  0\r\n  6 30  1  0  0  0  0\r\n  7 10  1  0  0  0  0\r\n  7 13  1  0  0  0  0\r\n  7 31  1  0  0  0  0\r\n  8 11  1  0  0  0  0\r\n  8 32  1  0  0  0  0\r\n  9 14  2  0  0  0  0\r\n  9 15  1  0  0  0  0\r\n 10 16  1  0  0  0  0\r\n 10 17  1  0  0  0  0\r\n 10 33  1  0  0  0  0\r\n 11 12  1  0  0  0  0\r\n 12 14  1  0  0  0  0\r\n 12 21  1  0  0  0  0\r\n 12 34  1  0  0  0  0\r\n 13 18  1  0  0  0  0\r\n 15 16  2  0  0  0  0\r\n 18 20  1  0  0  0  0\r\n 19 22  1  0  0  0  0\r\n 20 23  1  0  0  0  0\r\n 20 35  1  0  0  0  0\r\n 22 27  1  0  0  0  0\r\n 22 28  1  0  0  0  0\r\n 22 36  1  0  0  0  0\r\n 23 24  1  0  0  0  0\r\n 24 26  1  0  0  0  0\r\n 24 37  1  0  0  0  0\r\n 25 26  1  0  0  0  0\r\n 27 29  1  0  0  0  0\r\nM  END\r\n> <chembl_id>\r\nCHEMBL3186637\r\n\r\n$$$$\r\n\r\nIn [56]:\r\n\r\nChem.AddHs(m,addCoords=True)\r\nm = suppl[45]\r\nChem.AddHs(m,addCoords=True)\r\n---------------------------------------------------------------------------\r\nRuntimeError                              Traceback (most recent call last)\r\n<ipython-input-56-0dcb96667c60> in <module>()\r\n      1 m = suppl[45]\r\n----> 2 Chem.AddHs(m,addCoords=True)\r\n\r\nRuntimeError: Post-condition Violation\r\n\r\nIn [57]:\r\n\r\nChem.AddHs(m)\r\nOut[57]:\r\n<rdkit.Chem.rdchem.Mol at 0x7f658eca7ee8>\r\n```"}}