Hello everybody, I am trying to convert a large amount of mol files to png. Some mol files cause the following error with "Draw.MolToFile":
<<
Could not convert io integer: 3221225477. Path 'exitCode'.
Der Wert für einen Int32 war zu groß oder klein.
(The value for an Int32 was too large or small.)
>>
I would like to catch this error to simply omit these files but despite "try"
the program exits with the above error.
I have attached a problematic mol-file as an example.
The program code looks like this:
from rdkit import Chem
from rdkit.Chem import Draw
from try_parse.utils import ParseUtils
Testmol = Chem.MolFromMolFile('C:\\Struct\\191131.mol')
try:
print('now we test: ')
Draw.MolToFile(Testmol,'C:\\Struct\\Test191131.png')
# i also tried this:
#test=ParseUtils.try_parse_int(Draw.MolToFile(Testmol,'C:\\Struct\\Test191131.png'))
#print(test)
except:
print('I never reach this except but the programm stopps')
Many thanks!
Rüdiger Lang
Freundliche Grüße / Kind regards
Rüdiger Lang
Data Analyst
abcr GmbH
Im Schlehert 10
76187 Karlsruhe
Germany
r.l...@abcr.com
191133.mol
Description: 191133.mol
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
