Hi,
> Yes, this would definitely be a bug, although I can see that it's ionizing an
> alpha-beta unsaturated ketone.
Doesn't justify why the oxygen has one double bond and one simple bond :)
I did it again with Open Babel 2.3.00 (-p7.4), same results as 2.2.99:
O=C1COC=C1 not ionized
[O-]C1=CC
On Mon, Oct 18, 2010 at 10:33 PM, Igor Filippov [Contr]
wrote:
> These are the formats recognized by statically linked OB:
>
> $ bin/babel -L formats
> can -- Canonical SMILES format
> copy -- Copy raw text [Write-only]
> ent -- Protein Data Bank format
> fix -- SMILES FIX format [Write-only]
> md
>
> static_plugins.cpp only contains a few formats since including all
> formats in a single cpp file can take a long time/memory to compile.
True, but piece-meal inclusion with flags such as WITH_COMMON_FORMATS seems a
very reasonable approach.
It would be great if a set of such flags covered t
On Tue, Oct 19, 2010 at 5:28 PM, Igor Filippov [Contr]
wrote:
>
>>
>> static_plugins.cpp only contains a few formats since including all
>> formats in a single cpp file can take a long time/memory to compile.
> True, but piece-meal inclusion with flags such as WITH_COMMON_FORMATS seems a
> very r
Hi all,
I don't know if it could be related to some recent messages about
stereo problems, but converting a .can file (obtained with pybel /
babel 2.2.3) to still a .can file with babel 2.3 (downloaded and build
yesterday morning 19th) invert the E/Z stereochemistry.
Eg the E form
COc1(c1)NS(
