{"action":"created","issue":{"url":"https://api.github.com/repos/SCM-NV/PLAMS/issues/8","repository_url":"https://api.github.com/repos/SCM-NV/PLAMS","labels_url":"https://api.github.com/repos/SCM-NV/PLAMS/issues/8/labels{/name}","comments_url":"https://api.github.com/repos/SCM-NV/PLAMS/issues/8/comments","events_url":"https://api.github.com/repos/SCM-NV/PLAMS/issues/8/events","html_url":"https://github.com/SCM-NV/PLAMS/issues/8","id":191466493,"number":8,"title":"Plams can't read PDB files","user":{"login":"felipeZ","id":4108663,"avatar_url":"https://avatars.githubusercontent.com/u/4108663?v=3","gravatar_id":"","url":"https://api.github.com/users/felipeZ","html_url":"https://github.com/felipeZ","followers_url":"https://api.github.com/users/felipeZ/followers","following_url":"https://api.github.com/users/felipeZ/following{/other_user}","gists_url":"https://api.github.com/users/felipeZ/gists{/gist_id}","starred_url":"https://api.github.com/users/felipeZ/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/felipeZ/subscriptions","organizations_url":"https://api.github.com/users/felipeZ/orgs","repos_url":"https://api.github.com/users/felipeZ/repos","events_url":"https://api.github.com/users/felipeZ/events{/privacy}","received_events_url":"https://api.github.com/users/felipeZ/received_events","type":"User","site_admin":false},"labels":[{"id":334922156,"url":"https://api.github.com/repos/SCM-NV/PLAMS/labels/bug","name":"bug","color":"fc2929","default":true}],"state":"open","locked":false,"assignee":{"login":"h4nsu","id":9969515,"avatar_url":"https://avatars.githubusercontent.com/u/9969515?v=3","gravatar_id":"","url":"https://api.github.com/users/h4nsu","html_url":"https://github.com/h4nsu","followers_url":"https://api.github.com/users/h4nsu/followers","following_url":"https://api.github.com/users/h4nsu/following{/other_user}","gists_url":"https://api.github.com/users/h4nsu/gists{/gist_id}","starred_url":"https://api.github.com/users/h4nsu/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/h4nsu/subscriptions","organizations_url":"https://api.github.com/users/h4nsu/orgs","repos_url":"https://api.github.com/users/h4nsu/repos","events_url":"https://api.github.com/users/h4nsu/events{/privacy}","received_events_url":"https://api.github.com/users/h4nsu/received_events","type":"User","site_admin":false},"assignees":[{"login":"h4nsu","id":9969515,"avatar_url":"https://avatars.githubusercontent.com/u/9969515?v=3","gravatar_id":"","url":"https://api.github.com/users/h4nsu","html_url":"https://github.com/h4nsu","followers_url":"https://api.github.com/users/h4nsu/followers","following_url":"https://api.github.com/users/h4nsu/following{/other_user}","gists_url":"https://api.github.com/users/h4nsu/gists{/gist_id}","starred_url":"https://api.github.com/users/h4nsu/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/h4nsu/subscriptions","organizations_url":"https://api.github.com/users/h4nsu/orgs","repos_url":"https://api.github.com/users/h4nsu/repos","events_url":"https://api.github.com/users/h4nsu/events{/privacy}","received_events_url":"https://api.github.com/users/h4nsu/received_events","type":"User","site_admin":false}],"milestone":null,"comments":4,"created_at":"2016-11-24T09:08:28Z","updated_at":"2016-11-28T14:31:26Z","closed_at":null,"body":"There are several problems with the *PDB reader* of Plams:\r\n  * It does not follow the PDB conventions about the cartesian coordinates, see the [Atom](http://www.bmrb.wisc.edu/standards/pdb_3-3_atom_record_example.pdf) field record. Plams is reading the wrong columns.\r\n  * The element type may not exist.\r\n "},"comment":{"url":"https://api.github.com/repos/SCM-NV/PLAMS/issues/comments/263285177","html_url":"https://github.com/SCM-NV/PLAMS/issues/8#issuecomment-263285177","issue_url":"https://api.github.com/repos/SCM-NV/PLAMS/issues/8","id":263285177,"user":{"login":"felipeZ","id":4108663,"avatar_url":"https://avatars.githubusercontent.com/u/4108663?v=3","gravatar_id":"","url":"https://api.github.com/users/felipeZ","html_url":"https://github.com/felipeZ","followers_url":"https://api.github.com/users/felipeZ/followers","following_url":"https://api.github.com/users/felipeZ/following{/other_user}","gists_url":"https://api.github.com/users/felipeZ/gists{/gist_id}","starred_url":"https://api.github.com/users/felipeZ/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/felipeZ/subscriptions","organizations_url":"https://api.github.com/users/felipeZ/orgs","repos_url":"https://api.github.com/users/felipeZ/repos","events_url":"https://api.github.com/users/felipeZ/events{/privacy}","received_events_url":"https://api.github.com/users/felipeZ/received_events","type":"User","site_admin":false},"created_at":"2016-11-28T14:31:26Z","updated_at":"2016-11-28T14:31:26Z","body":"That's the output of a widely used package in Molecular dynamics and RDKit is able to read it. Problem is that the Coordinates on Column 77-78 are no mandatory and I do not see a sensible way to get the atomic symbols from the atomic names."}}
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