# HG changeset patch # User bgruening # Date 1589880874 14400 # Node ID 59eea7d0d7203dcb6cfe95a425f5bd96ebe2921d # Parent 8b6ba267714b61d9d9fecc1ca60c92804380c065 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit f5c316339ed36a0469f4862d00fa0e5cafebc041" diff -r 8b6ba267714b -r 59eea7d0d720 chembl.py --- a/chembl.py Wed Apr 01 07:04:25 2020 -0400 +++ b/chembl.py Tue May 19 05:34:34 2020 -0400 @@ -5,7 +5,7 @@ def open_file(filename): with open(filename) as f: - return f.readline() + return f.readline().split()[0] def get_smiles(res): """ diff -r 8b6ba267714b -r 59eea7d0d720 chembl.xml --- a/chembl.xml Wed Apr 01 07:04:25 2020 -0400 +++ b/chembl.xml Tue May 19 05:34:34 2020 -0400 @@ -1,10 +1,11 @@ - + - 0.10.1 + 0.10.1 + 1 for compounds which are similar to a SMILES string - chembl_webresource_client + chembl_webresource_client