comparison cheminfolib.py @ 12:a72ae2711a97 draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:34:42 -0400
parents df6d948e95ba
children 417845394cdf
comparison
equal deleted inserted replaced
11:e4ece69f1b32 12:a72ae2711a97
11 eggs.require('psycopg2') 11 eggs.require('psycopg2')
12 except: 12 except:
13 print('psycopg2 is not available. It is currently used in the pgchem wrappers, that are not shipped with default CTB') 13 print('psycopg2 is not available. It is currently used in the pgchem wrappers, that are not shipped with default CTB')
14 14
15 try: 15 try:
16 import pybel 16 from openbabel import openbabel, pybel
17 import openbabel 17 openbabel.obErrorLog.StopLogging()
18 except: 18 except:
19 print('OpenBabel could not be found. A few functions are not available without OpenBabel.') 19 print('OpenBabel could not be found. A few functions are not available without OpenBabel.')
20 20
21 from multiprocessing import Pool 21 from multiprocessing import Pool
22 import glob, tempfile, re 22 import glob, tempfile, re