{"action":"created","issue":{"url":"https://api.github.com/repos/Acellera/htmd/issues/43","repository_url":"https://api.github.com/repos/Acellera/htmd","labels_url":"https://api.github.com/repos/Acellera/htmd/issues/43/labels{/name}","comments_url":"https://api.github.com/repos/Acellera/htmd/issues/43/comments","events_url":"https://api.github.com/repos/Acellera/htmd/issues/43/events","html_url":"https://github.com/Acellera/htmd/issues/43","id":158210740,"number":43,"title":"question on dihedral metric usage","user":{"login":"noeliaferruz","id":12035024,"avatar_url":"https://avatars.githubusercontent.com/u/12035024?v=3","gravatar_id":"","url":"https://api.github.com/users/noeliaferruz","html_url":"https://github.com/noeliaferruz","followers_url":"https://api.github.com/users/noeliaferruz/followers","following_url":"https://api.github.com/users/noeliaferruz/following{/other_user}","gists_url":"https://api.github.com/users/noeliaferruz/gists{/gist_id}","starred_url":"https://api.github.com/users/noeliaferruz/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/noeliaferruz/subscriptions","organizations_url":"https://api.github.com/users/noeliaferruz/orgs","repos_url":"https://api.github.com/users/noeliaferruz/repos","events_url":"https://api.github.com/users/noeliaferruz/events{/privacy}","received_events_url":"https://api.github.com/users/noeliaferruz/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":{"login":"j3mdamas","id":10810178,"avatar_url":"https://avatars.githubusercontent.com/u/10810178?v=3","gravatar_id":"","url":"https://api.github.com/users/j3mdamas","html_url":"https://github.com/j3mdamas","followers_url":"https://api.github.com/users/j3mdamas/followers","following_url":"https://api.github.com/users/j3mdamas/following{/other_user}","gists_url":"https://api.github.com/users/j3mdamas/gists{/gist_id}","starred_url":"https://api.github.com/users/j3mdamas/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/j3mdamas/subscriptions","organizations_url":"https://api.github.com/users/j3mdamas/orgs","repos_url":"https://api.github.com/users/j3mdamas/repos","events_url":"https://api.github.com/users/j3mdamas/events{/privacy}","received_events_url":"https://api.github.com/users/j3mdamas/received_events","type":"User","site_admin":false},"milestone":null,"comments":8,"created_at":"2016-06-02T18:40:46Z","updated_at":"2016-06-02T19:53:53Z","closed_at":null,"body":"Hi guys,\r\n\r\nI want use metric dihedral on four specific atoms. I'm using version 1.0.26.\r\nI tried:\r\n```\r\nsims = simlist(glob('./filtered/*/'), './filtered/filtered.pdb')\r\nmetr1=Metric(sims)\r\nsincos=True)) \r\nmetr1.projection(MetricDihedral(dih=\"index 2629 2625 2623 2608\", sincos=True))\r\ndata = metr1.project()\r\nNameError: Could not parse selection \"i\". Is the selection a valid VMD atom selection?\r\n```\r\n\r\nAnd also tried:\r\n```\r\nmetr1.projection(MetricDihedral(dih=(\"index 2629\", \"index 2625\", \"index 2623\", \"index 2608\"), sincos=True)) \r\n2016-06-02 14:36:18,184 - htmd.projections.metric - WARNING - Error in simulation with id: 7 index 1 is out of bounds for axis 0 with size 1\r\n```\r\nThis last error happened for all the trajectories.\r\nAny other metrics (contacts, distances) work fine in this system. The selection is valid and correspond to the backbone dihedral of a single aminoacid.\r\n\r\nAny ideas?\r\nThanks,\r\nNoelia\r\n\r\n"},"comment":{"url":"https://api.github.com/repos/Acellera/htmd/issues/comments/223403037","html_url":"https://github.com/Acellera/htmd/issues/43#issuecomment-223403037","issue_url":"https://api.github.com/repos/Acellera/htmd/issues/43","id":223403037,"user":{"login":"stefdoerr","id":7935362,"avatar_url":"https://avatars.githubusercontent.com/u/7935362?v=3","gravatar_id":"","url":"https://api.github.com/users/stefdoerr","html_url":"https://github.com/stefdoerr","followers_url":"https://api.github.com/users/stefdoerr/followers","following_url":"https://api.github.com/users/stefdoerr/following{/other_user}","gists_url":"https://api.github.com/users/stefdoerr/gists{/gist_id}","starred_url":"https://api.github.com/users/stefdoerr/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/stefdoerr/subscriptions","organizations_url":"https://api.github.com/users/stefdoerr/orgs","repos_url":"https://api.github.com/users/stefdoerr/repos","events_url":"https://api.github.com/users/stefdoerr/events{/privacy}","received_events_url":"https://api.github.com/users/stefdoerr/received_events","type":"User","site_admin":false},"created_at":"2016-06-02T19:53:53Z","updated_at":"2016-06-02T19:53:53Z","body":"Are you like 100% sure you called the command correct? Looking at the code I find it virtually impossible.\r\n```python\r\nsims = simlist(glob('./filtered/*/'), './filtered/filtered.pdb')\r\nmetr1=Metric(sims)\r\nsincos=True)) \r\nmetr1.projection(MetricDihedral(dih=[\"index 2629 2625 2623 2608\"], sincos=True))\r\ndata = metr1.project()\r\n```"}}
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