{"action":"created","issue":{"url":"https://api.github.com/repos/pandegroup/openmm/issues/1610","repository_url":"https://api.github.com/repos/pandegroup/openmm","labels_url":"https://api.github.com/repos/pandegroup/openmm/issues/1610/labels{/name}","comments_url":"https://api.github.com/repos/pandegroup/openmm/issues/1610/comments","events_url":"https://api.github.com/repos/pandegroup/openmm/issues/1610/events","html_url":"https://github.com/pandegroup/openmm/issues/1610","id":181229156,"number":1610,"title":"OpenMM application","user":{"login":"peastman","id":4379786,"avatar_url":"https://avatars.githubusercontent.com/u/4379786?v=3","gravatar_id":"","url":"https://api.github.com/users/peastman","html_url":"https://github.com/peastman","followers_url":"https://api.github.com/users/peastman/followers","following_url":"https://api.github.com/users/peastman/following{/other_user}","gists_url":"https://api.github.com/users/peastman/gists{/gist_id}","starred_url":"https://api.github.com/users/peastman/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/peastman/subscriptions","organizations_url":"https://api.github.com/users/peastman/orgs","repos_url":"https://api.github.com/users/peastman/repos","events_url":"https://api.github.com/users/peastman/events{/privacy}","received_events_url":"https://api.github.com/users/peastman/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":6,"created_at":"2016-10-05T18:21:55Z","updated_at":"2016-10-12T21:11:48Z","closed_at":null,"body":"@VijayPande has recently brought up the issue of creating a top level \"OpenMM application\" for running simulations without writing any code.  We've discussed this idea a few times before, but could never come to agreement on what it should be.  Different people had very different requirements for what they wanted an application to do and what problems they wanted it to solve.  Perhaps the time has come to consider it again.\r\n\r\nVijay, could you describe why you think this is important, and what the particular problems are the application should try to solve?\r\n\r\nPossibly all we need to do is point people to the application @leeping developed.  Lee-Ping, are you still developing/maintaining it?  Do you think it's suitable for this purpose?"},"comment":{"url":"https://api.github.com/repos/pandegroup/openmm/issues/comments/253340645","html_url":"https://github.com/pandegroup/openmm/issues/1610#issuecomment-253340645","issue_url":"https://api.github.com/repos/pandegroup/openmm/issues/1610","id":253340645,"user":{"login":"swails","id":779022,"avatar_url":"https://avatars.githubusercontent.com/u/779022?v=3","gravatar_id":"","url":"https://api.github.com/users/swails","html_url":"https://github.com/swails","followers_url":"https://api.github.com/users/swails/followers","following_url":"https://api.github.com/users/swails/following{/other_user}","gists_url":"https://api.github.com/users/swails/gists{/gist_id}","starred_url":"https://api.github.com/users/swails/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/swails/subscriptions","organizations_url":"https://api.github.com/users/swails/orgs","repos_url":"https://api.github.com/users/swails/repos","events_url":"https://api.github.com/users/swails/events{/privacy}","received_events_url":"https://api.github.com/users/swails/received_events","type":"User","site_admin":false},"created_at":"2016-10-12T21:11:48Z","updated_at":"2016-10-12T21:11:48Z","body":"I still think it's worth taking this opportunity to present an entirely different UI in an MD application.  The traditional UI (gmx, Amber, CHARMM, and NAMD are all different takes on the same kind of idea) means we remove UI as a potential differentiator to encourage adoption of OpenMM.  And it's not really *that* different from just treating a Python script as an \"input file\".\r\n\r\nHaving something GUI-based (but scriptable) and hooked into some kind of viewer (like nglview) for real-time visualization could be the first step toward something game-changing.\r\n\r\nJust my 2c."}}
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