{"action":"created","issue":{"url":"https://api.github.com/repos/michellab/jedi-utilities/issues/1","repository_url":"https://api.github.com/repos/michellab/jedi-utilities","labels_url":"https://api.github.com/repos/michellab/jedi-utilities/issues/1/labels{/name}","comments_url":"https://api.github.com/repos/michellab/jedi-utilities/issues/1/comments","events_url":"https://api.github.com/repos/michellab/jedi-utilities/issues/1/events","html_url":"https://github.com/michellab/jedi-utilities/issues/1","id":154210482,"number":1,"title":"function loadRegion(regionfile)","user":{"login":"carajillu","id":14072080,"avatar_url":"https://avatars.githubusercontent.com/u/14072080?v=3","gravatar_id":"","url":"https://api.github.com/users/carajillu","html_url":"https://github.com/carajillu","followers_url":"https://api.github.com/users/carajillu/followers","following_url":"https://api.github.com/users/carajillu/following{/other_user}","gists_url":"https://api.github.com/users/carajillu/gists{/gist_id}","starred_url":"https://api.github.com/users/carajillu/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/carajillu/subscriptions","organizations_url":"https://api.github.com/users/carajillu/orgs","repos_url":"https://api.github.com/users/carajillu/repos","events_url":"https://api.github.com/users/carajillu/events{/privacy}","received_events_url":"https://api.github.com/users/carajillu/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":1,"created_at":"2016-05-11T10:29:13Z","updated_at":"2016-05-11T10:33:32Z","closed_at":null,"body":"This function contains only:\r\n\r\n    return 0\r\n\r\nso the script crashes when trying to read the grid limits from _region.dim_ instead of a ligand files. I wrote this:\r\n\r\n    def loadRegion(regionfile):\r\n         region={'min':[],'max':[]}\r\n         filein=open(regionfile,'r')\r\n         for line in filein:\r\n             if line.startswith('#') or len(line.split())!=3:\r\n                continue\r\n             line=line.split()\r\n             region['min'].append(float(line[1]))\r\n             region['max'].append(float(line[2]))\r\n         filein.close()\r\n         return region\r\n\r\nand uncommented the lines in function _defineGrid_ that say:\r\n\r\n    mincoords = region['min']\r\n    maxcoords = region['max']\r\n\r\nand now it seems to work fine (let's hope I have not created 10K bugs by doing this)"},"comment":{"url":"https://api.github.com/repos/michellab/jedi-utilities/issues/comments/218422164","html_url":"https://github.com/michellab/jedi-utilities/issues/1#issuecomment-218422164","issue_url":"https://api.github.com/repos/michellab/jedi-utilities/issues/1","id":218422164,"user":{"login":"jmichel80","id":11722212,"avatar_url":"https://avatars.githubusercontent.com/u/11722212?v=3","gravatar_id":"","url":"https://api.github.com/users/jmichel80","html_url":"https://github.com/jmichel80","followers_url":"https://api.github.com/users/jmichel80/followers","following_url":"https://api.github.com/users/jmichel80/following{/other_user}","gists_url":"https://api.github.com/users/jmichel80/gists{/gist_id}","starred_url":"https://api.github.com/users/jmichel80/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jmichel80/subscriptions","organizations_url":"https://api.github.com/users/jmichel80/orgs","repos_url":"https://api.github.com/users/jmichel80/repos","events_url":"https://api.github.com/users/jmichel80/events{/privacy}","received_events_url":"https://api.github.com/users/jmichel80/received_events","type":"User","site_admin":false},"created_at":"2016-05-11T10:33:32Z","updated_at":"2016-05-11T10:33:32Z","body":"Excellent ! I recall now of course the script is unfinished in various places. You will have to make code changes to make it work more generally. \r\n\r\nI will fork master to devel and you should work on devel from now on. "}}