{"action":"created","issue":{"url":"https://api.github.com/repos/ssalentin/plip/issues/2","repository_url":"https://api.github.com/repos/ssalentin/plip","labels_url":"https://api.github.com/repos/ssalentin/plip/issues/2/labels{/name}","comments_url":"https://api.github.com/repos/ssalentin/plip/issues/2/comments","events_url":"https://api.github.com/repos/ssalentin/plip/issues/2/events","html_url":"https://github.com/ssalentin/plip/issues/2","id":137915019,"number":2,"title":"plipcmd segfaults with PDBID 1u6b","user":{"login":"flobosg","id":1033129,"avatar_url":"https://avatars.githubusercontent.com/u/1033129?v=3","gravatar_id":"","url":"https://api.github.com/users/flobosg","html_url":"https://github.com/flobosg","followers_url":"https://api.github.com/users/flobosg/followers","following_url":"https://api.github.com/users/flobosg/following{/other_user}","gists_url":"https://api.github.com/users/flobosg/gists{/gist_id}","starred_url":"https://api.github.com/users/flobosg/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/flobosg/subscriptions","organizations_url":"https://api.github.com/users/flobosg/orgs","repos_url":"https://api.github.com/users/flobosg/repos","events_url":"https://api.github.com/users/flobosg/events{/privacy}","received_events_url":"https://api.github.com/users/flobosg/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"milestone":null,"comments":3,"created_at":"2016-03-02T16:00:23Z","updated_at":"2016-03-03T12:58:45Z","closed_at":"2016-03-03T11:31:33Z","body":"`plipcmd` throws a segmentation fault when PDB entry [1u6b](http://www.rcsb.org/pdb/explore.do?structureId=1u6b) is used as an input. I haven't tried to debug the problem yet, but may look into it later.\r\n\r\n    $ plipcmd -v -i 1u6b\r\n\r\n    **********************************************\r\n    * Protein-Ligand Interaction Profiler v1.3.0 *\r\n    **********************************************\r\n\r\n\r\n    Checking status of PDB ID 1u6b ... entry is up to date.\r\n    Downloading file from PDB ... file downloaded as /tmp/1u6b.pdb\r\n\r\n\r\n    Starting analysis of 1u6b.pdb\r\n    ===============================\r\n    PDB structure successfully read.\r\n    Excluded molecules as ligands: 5MU,A23,GTP\r\n    Analyzing 4 ligands...\r\n\r\n    K-MG-K-G-C-C-G-U-G-U... [RNA+ION] -- K:B:2 + MG:B:3 + K:B...\r\n    -------------------------------------------------------------\r\n      [Warning] Could not write SMILES for this ligand.\r\n    Segmentation fault (core dumped)\r\n\r\n- PLIP version 1.3.0\r\n- Python 2.7.6\r\n- Ubuntu 14.04"},"comment":{"url":"https://api.github.com/repos/ssalentin/plip/issues/comments/191751784","html_url":"https://github.com/ssalentin/plip/issues/2#issuecomment-191751784","issue_url":"https://api.github.com/repos/ssalentin/plip/issues/2","id":191751784,"user":{"login":"flobosg","id":1033129,"avatar_url":"https://avatars.githubusercontent.com/u/1033129?v=3","gravatar_id":"","url":"https://api.github.com/users/flobosg","html_url":"https://github.com/flobosg","followers_url":"https://api.github.com/users/flobosg/followers","following_url":"https://api.github.com/users/flobosg/following{/other_user}","gists_url":"https://api.github.com/users/flobosg/gists{/gist_id}","starred_url":"https://api.github.com/users/flobosg/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/flobosg/subscriptions","organizations_url":"https://api.github.com/users/flobosg/orgs","repos_url":"https://api.github.com/users/flobosg/repos","events_url":"https://api.github.com/users/flobosg/events{/privacy}","received_events_url":"https://api.github.com/users/flobosg/received_events","type":"User","site_admin":false},"created_at":"2016-03-03T12:58:45Z","updated_at":"2016-03-03T12:58:45Z","body":"Thank you! I'm using Open Babel 2.3.2+dfsg-1.1 by the way."}}