it would be
> good to know, because I could add that to the feature requests. You can
> google it. If you have the openbabel prerequisites, ruby and rubygems
> installed, you just write "gem install rubabel" and it will install
> everything you need.
>
> On Tue, O
e, Oct 16, 2012 at 7:05 PM, J Birch wrote:
>> Is there any know SMART output format for Open Babel? If not Open Babel,
>> and other chemistry development kit?
>
> OpenBabel does not currently support this. The main reason for this is
> that OB currently does not manipulat
Is there an algorithm that will fragment a molecule finding all 'fragments',
not 'paths' in the given molecule within a certain size, say 3-7? I am not
sure if Fingerprinting does this.
Birch
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Is there any know SMART output format for Open Babel? If not Open Babel, and
other chemistry development kit?
Thanks!
Birch
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