On Oct 24, 2014, at 1:47 AM, ftorazyne wrote:
> On my system this code produced other output:
   ...
> SetInFormat("smi") return False, but "smi" is in supported formats.
> Cannot this error be connected with encoding? My system encoding is UTF8 and
> I every time specify this encoding in Python files.

It shouldn't, because "smi" is the same in ASCII and UTF-8.

Still, it's a better lead than what I have. Try setting your LC_ALL environment 
variable to "C" before running Python. That should make everything be locale 
ignorant.


If you to be a bit daft, try asking it for all formats of up to 6 letters. At 
the very least this will see if anything is loading:

import string
import itertools
import openbabel as ob

conv = ob.OBConversion()
for length in range(1, 7):
    print "Trying words of length", length
    for letters in itertools.product(*((string.ascii_lowercase,)*length)):
        word = "".join(letters)
        if conv.SetInFormat(word):
            print repr(word)

My output starts with:

Trying words of length 1
Trying words of length 2
'bs'
'ck'
'ct'
'dx'
'fa'
'fs'
'pc'
'sd'
Trying words of length 3
'acr'
'alc'




                                Andrew
                                da...@dalkescientific.com



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