{"action":"created","issue":{"url":"https://api.github.com/repos/rdkit/rdkit/issues/746","labels_url":"https://api.github.com/repos/rdkit/rdkit/issues/746/labels{/name}","comments_url":"https://api.github.com/repos/rdkit/rdkit/issues/746/comments","events_url":"https://api.github.com/repos/rdkit/rdkit/issues/746/events","html_url":"https://github.com/rdkit/rdkit/pull/746","id":128168014,"number":746,"title":"Master","user":{"login":"DrBjerrum","id":12825511,"avatar_url":"https://avatars.githubusercontent.com/u/12825511?v=3","gravatar_id":"","url":"https://api.github.com/users/DrBjerrum","html_url":"https://github.com/DrBjerrum","followers_url":"https://api.github.com/users/DrBjerrum/followers","following_url":"https://api.github.com/users/DrBjerrum/following{/other_user}","gists_url":"https://api.github.com/users/DrBjerrum/gists{/gist_id}","starred_url":"https://api.github.com/users/DrBjerrum/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/DrBjerrum/subscriptions","organizations_url":"https://api.github.com/users/DrBjerrum/orgs","repos_url":"https://api.github.com/users/DrBjerrum/repos","events_url":"https://api.github.com/users/DrBjerrum/events{/privacy}","received_events_url":"https://api.github.com/users/DrBjerrum/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":3,"created_at":"2016-01-22T14:33:58Z","updated_at":"2016-01-23T09:31:49Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/rdkit/rdkit/pulls/746","html_url":"https://github.com/rdkit/rdkit/pull/746","diff_url":"https://github.com/rdkit/rdkit/pull/746.diff","patch_url":"https://github.com/rdkit/rdkit/pull/746.patch"},"body":"Support For molfiles with amino acids as pseudo atoms for condensed representation as e.g. produced by proteax or MDL ISIS/Draw. Marvinsketch also reads them."},"comment":{"url":"https://api.github.com/repos/rdkit/rdkit/issues/comments/174165691","html_url":"https://github.com/rdkit/rdkit/pull/746#issuecomment-174165691","issue_url":"https://api.github.com/repos/rdkit/rdkit/issues/746","id":174165691,"user":{"login":"DrBjerrum","id":12825511,"avatar_url":"https://avatars.githubusercontent.com/u/12825511?v=3","gravatar_id":"","url":"https://api.github.com/users/DrBjerrum","html_url":"https://github.com/DrBjerrum","followers_url":"https://api.github.com/users/DrBjerrum/followers","following_url":"https://api.github.com/users/DrBjerrum/following{/other_user}","gists_url":"https://api.github.com/users/DrBjerrum/gists{/gist_id}","starred_url":"https://api.github.com/users/DrBjerrum/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/DrBjerrum/subscriptions","organizations_url":"https://api.github.com/users/DrBjerrum/orgs","repos_url":"https://api.github.com/users/DrBjerrum/repos","events_url":"https://api.github.com/users/DrBjerrum/events{/privacy}","received_events_url":"https://api.github.com/users/DrBjerrum/received_events","type":"User","site_admin":false},"created_at":"2016-01-23T09:31:49Z","updated_at":"2016-01-23T09:31:49Z","body":"Thanks for looking at it. I havent contributed before, but yes, theres many things thats not working with the pseudoatoms, smiles only reads up to two letters, so the parser thinks Ala is aluminium. So it may not be production version ready (yet) The idea was not to imlement all the functionality of proteax, but just enable reading of molfiles and some basic functionality. Its a simple patch, so I can just work with it for my own purposes so far.\n\nBest Regards\nEsben"}}