Dear Francois,
If you neglect the stereochemical information, these SMILES are the
same. I am not sure if stereochemistry is read properly from all input
formats, see http://openbabel.org/wiki/Stereochemistry
Best wishes,
Michal
On 7 November 2013 07:13, Francois Berenger wrote:
> obabel test.mo
Hello,
I found a bug in the SMILES parser which causes OB to crash (both when
called from the GUI and from pybel) on nonstandard (SMILIB-like)
SMILES:
c1cc(%10)sc1.%10c1cc(C)c([Br])s1
Best regards,
Michal
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ne is first on the path wins. Just remove Avogadro's bin
> from the PATH. I have Avogadro installed and it works fine without it
> being on the PATH.
>
> - Noel
>
> On 7 October 2013 18:47, Michal Krompiec wrote:
>> Dear Noel,
>> Yes, but the system path is OK
On 10/07/2013 12:58 PM, Michal Krompiec wrote:
>
>>>>> import sys; print(sys.path)
>> ['', 'C:\\Python27\\Lib\\idlelib',
>> 'C:\\Windows\\system32\\python27.zip', 'C:\\Python27\\DLLs',
>> 'C:\\Python27\\lib', 'C:\\P
ory is on the PATH, then the only thing I can
> think of is that you opened a command prompt window before the PATH
> was updated.
>
> If want to go ahead with your workaround, copy the .obf files also and
> see if it works.
>
> - Noel
>
> On 7 October 2013 16:11, Michal
g I can
> think of is that you opened a command prompt window before the PATH
> was updated.
>
> If want to go ahead with your workaround, copy the .obf files also and
> see if it works.
>
> - Noel
>
> On 7 October 2013 16:11, Michal Krompiec wrote:
>> Hello, this pro
, line 65, in
broken = [(x,y.strip()) for x,y in broken]
ValueError: need more than 1 value to unpack
Can anybody help??
Thanks,
Michal Krompiec
On 7 October 2013 12:37, Michal Krompiec wrote:
> Hello, I need urgent help with the openbabel python library. I can't
> get it to work
at some people reported this issue previously, but their
solutions don't work for me.
Thanks in advance,
Michal Krompiec
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