{"action":"created","issue":{"url":"https://api.github.com/repos/choderalab/openmoltools/issues/160","labels_url":"https://api.github.com/repos/choderalab/openmoltools/issues/160/labels{/name}","comments_url":"https://api.github.com/repos/choderalab/openmoltools/issues/160/comments","events_url":"https://api.github.com/repos/choderalab/openmoltools/issues/160/events","html_url":"https://github.com/choderalab/openmoltools/issues/160","id":116237052,"number":160,"title":"Check if amber installed","user":{"login":"andrrizzi","id":1682142,"avatar_url":"https://avatars.githubusercontent.com/u/1682142?v=3","gravatar_id":"","url":"https://api.github.com/users/andrrizzi","html_url":"https://github.com/andrrizzi","followers_url":"https://api.github.com/users/andrrizzi/followers","following_url":"https://api.github.com/users/andrrizzi/following{/other_user}","gists_url":"https://api.github.com/users/andrrizzi/gists{/gist_id}","starred_url":"https://api.github.com/users/andrrizzi/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/andrrizzi/subscriptions","organizations_url":"https://api.github.com/users/andrrizzi/orgs","repos_url":"https://api.github.com/users/andrrizzi/repos","events_url":"https://api.github.com/users/andrrizzi/events{/privacy}","received_events_url":"https://api.github.com/users/andrrizzi/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"milestone":null,"comments":1,"created_at":"2015-11-11T00:52:23Z","updated_at":"2015-11-11T01:03:20Z","closed_at":"2015-11-11T01:03:20Z","body":"I was wondering if it was useful to create a simple function that checks if AMBER is installed. Right now I'm using ``amber.find_gaff_dat()`` which raises an exception when AMBER is not found, but I think it would be cleaner to have something as simple as\r\n```python\r\ntry:\r\n    import shutil.which as which  # Python 3\r\nexcept ImportError:\r\n    import distutils.spawn.find_executable as which\r\n\r\ndef is_amber_installed():\r\n    if which('antechamber') is None:\r\n        return False\r\n   return True\r\n```\r\nIf this is of interest, I can create a PR."},"comment":{"url":"https://api.github.com/repos/choderalab/openmoltools/issues/comments/155619797","html_url":"https://github.com/choderalab/openmoltools/issues/160#issuecomment-155619797","issue_url":"https://api.github.com/repos/choderalab/openmoltools/issues/160","id":155619797,"user":{"login":"davidlmobley","id":7132257,"avatar_url":"https://avatars.githubusercontent.com/u/7132257?v=3","gravatar_id":"","url":"https://api.github.com/users/davidlmobley","html_url":"https://github.com/davidlmobley","followers_url":"https://api.github.com/users/davidlmobley/followers","following_url":"https://api.github.com/users/davidlmobley/following{/other_user}","gists_url":"https://api.github.com/users/davidlmobley/gists{/gist_id}","starred_url":"https://api.github.com/users/davidlmobley/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davidlmobley/subscriptions","organizations_url":"https://api.github.com/users/davidlmobley/orgs","repos_url":"https://api.github.com/users/davidlmobley/repos","events_url":"https://api.github.com/users/davidlmobley/events{/privacy}","received_events_url":"https://api.github.com/users/davidlmobley/received_events","type":"User","site_admin":false},"created_at":"2015-11-11T01:03:20Z","updated_at":"2015-11-11T01:03:20Z","body":"Yes, this ought to be done. Probably at the same time, though, you should be checking for other prerequisites.\r\n\r\nThis is probably already handled somewhat in that the checks will fail if someone doesn't have AMBER installed, though the failure may need to be more prominent/earlier.\r\n\r\nNote that anyone installing via conda ought not to have to worry about this."}}