{"action":"created","issue":{"url":"https://api.github.com/repos/pandegroup/pdbfixer/issues/172","repository_url":"https://api.github.com/repos/pandegroup/pdbfixer","labels_url":"https://api.github.com/repos/pandegroup/pdbfixer/issues/172/labels{/name}","comments_url":"https://api.github.com/repos/pandegroup/pdbfixer/issues/172/comments","events_url":"https://api.github.com/repos/pandegroup/pdbfixer/issues/172/events","html_url":"https://github.com/pandegroup/pdbfixer/issues/172","id":339986562,"node_id":"MDU6SXNzdWUzMzk5ODY1NjI=","number":172,"title":"residue names based on protonation state?","user":{"login":"nitroamos","id":6820877,"node_id":"MDQ6VXNlcjY4MjA4Nzc=","avatar_url":"https://avatars1.githubusercontent.com/u/6820877?v=4","gravatar_id":"","url":"https://api.github.com/users/nitroamos","html_url":"https://github.com/nitroamos","followers_url":"https://api.github.com/users/nitroamos/followers","following_url":"https://api.github.com/users/nitroamos/following{/other_user}","gists_url":"https://api.github.com/users/nitroamos/gists{/gist_id}","starred_url":"https://api.github.com/users/nitroamos/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/nitroamos/subscriptions","organizations_url":"https://api.github.com/users/nitroamos/orgs","repos_url":"https://api.github.com/users/nitroamos/repos","events_url":"https://api.github.com/users/nitroamos/events{/privacy}","received_events_url":"https://api.github.com/users/nitroamos/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":1,"created_at":"2018-07-10T20:01:54Z","updated_at":"2018-07-23T17:45:46Z","closed_at":"2018-07-23T17:45:46Z","author_association":"NONE","body":"Is there any feature implemented whereby PDBFixer (or OpenMM) can name residues based on their protonation state? I'm interested in doing Amber and Gromacs calculations and I'm surveying approaches."},"comment":{"url":"https://api.github.com/repos/pandegroup/pdbfixer/issues/comments/407142626","html_url":"https://github.com/pandegroup/pdbfixer/issues/172#issuecomment-407142626","issue_url":"https://api.github.com/repos/pandegroup/pdbfixer/issues/172","id":407142626,"node_id":"MDEyOklzc3VlQ29tbWVudDQwNzE0MjYyNg==","user":{"login":"nitroamos","id":6820877,"node_id":"MDQ6VXNlcjY4MjA4Nzc=","avatar_url":"https://avatars1.githubusercontent.com/u/6820877?v=4","gravatar_id":"","url":"https://api.github.com/users/nitroamos","html_url":"https://github.com/nitroamos","followers_url":"https://api.github.com/users/nitroamos/followers","following_url":"https://api.github.com/users/nitroamos/following{/other_user}","gists_url":"https://api.github.com/users/nitroamos/gists{/gist_id}","starred_url":"https://api.github.com/users/nitroamos/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/nitroamos/subscriptions","organizations_url":"https://api.github.com/users/nitroamos/orgs","repos_url":"https://api.github.com/users/nitroamos/repos","events_url":"https://api.github.com/users/nitroamos/events{/privacy}","received_events_url":"https://api.github.com/users/nitroamos/received_events","type":"User","site_admin":false},"created_at":"2018-07-23T17:45:46Z","updated_at":"2018-07-23T17:45:46Z","author_association":"NONE","body":"I found the tool [pdb4amber](https://github.com/Amber-MD/pdb4amber) and it seems to work ok."}}
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