comparison cheminfolib.py @ 12:9a08f0d1b305 draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 11:59:43 +0000
parents c6f3cedfe301
children bfaad2f84dec
comparison
equal deleted inserted replaced
11:449c3def61cc 12:9a08f0d1b305
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