# HG changeset patch # User bgruening # Date 1589880717 0 # Node ID 6aa23d7ae03b97801b4b705e8559f983cab3d75c # Parent 289129917d58ac38a02bfe1fcace3b11f27d0095 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit f5c316339ed36a0469f4862d00fa0e5cafebc041" diff -r 289129917d58 -r 6aa23d7ae03b chembl.py --- a/chembl.py Wed Apr 01 11:04:01 2020 +0000 +++ b/chembl.py Tue May 19 09:31:57 2020 +0000 @@ -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 289129917d58 -r 6aa23d7ae03b chembl.xml --- a/chembl.xml Wed Apr 01 11:04:01 2020 +0000 +++ b/chembl.xml Tue May 19 09:31:57 2020 +0000 @@ -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