comparison cheminfolib.py @ 2:4c9d6b47045c draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:38:28 -0400
parents c066b5accacf
children 49242402887b
comparison
equal deleted inserted replaced
1:f0502d809c4b 2:4c9d6b47045c
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