Mercurial > repos > bgruening > openbabel_svg_depiction

comparison cheminfolib.py @ 12:d3b48303045b draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:35:16 -0400
parents 88f229c63734
children a66827fc370d
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11:ba2d56f16904 12:d3b48303045b
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