Re: [Scaffoldhunter-users] [SUSPECTED SPAM] How to export the smiles of the scaffolds

[abhik <ab...@eb...>]

Dear Till,
Thank you very much.

I will try this from command line and let you know.

Regards,
Abhik

On 2018-04-25 13:55, Till Schäfer wrote:
> Hi Abhik,
> 
> this is not supported by the GUI, but can be done via the command line
> interface. Please run
> 
>   java -jar scaffoldhunter-XXX.jar
>   edu.udo.scaffoldhunter.cli.ScaffoldGenerator --help
> 
> for more information. This will generate and output a tree for a given 
> dataset.
> 
> Regards,
> Till
> 
> On Dienstag, 24. April 2018 15:48:02 CEST abhik wrote:
>> Hi,
>> 
>> I am using Scaffold hunter to generate scaffold tree for a chemical
>> dataset. Is there any way to export the smiles of the scaffolds that
>> have been generated.
>> 
>> Thanks,
>> Abhik
>> 
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