Why don't you try it yourself first? It's pretty much the same in
Python - see the docs.
- Noel
On 26 April 2013 05:47, Jean-Marc Nuzillard wrote:
> Le 25/04/2013 18:03, Chris Morley a écrit :
>> On 24/04/2013 12:40, Jean-Marc Nuzillard wrote:
>>> Dear All,
>>>
>>> I am presently attempting to r
Le 25/04/2013 18:03, Chris Morley a écrit :
> On 24/04/2013 12:40, Jean-Marc Nuzillard wrote:
>> Dear All,
>>
>> I am presently attempting to read an SD file with Alias data at the end
>> of molecule description
>> such as
>> ...
>> A5
>> H1A
>> A6
>> H1B
>> A7
>> H1C
>> ...
>> that cau
On 24/04/2013 12:40, Jean-Marc Nuzillard wrote:
> Dear All,
>
> I am presently attempting to read an SD file with Alias data at the end
> of molecule description
> such as
> ...
> A5
> H1A
> A6
> H1B
> A7
> H1C
> ...
> that causes the printing of warning messages such as:
> Alias H1
Dear All,
I am presently attempting to read an SD file with Alias data at the end
of molecule description
such as
...
A5
H1A
A6
H1B
A7
H1C
...
that causes the printing of warning messages such as:
Alias H1A was not chemically interpreted
I use OpenBabel 2.3.2 on Windows through th