The number of candidate molecules from the fastsearch phase can be
raised to 8000, for example, by adding the option -al8000.
Information on the available options for any format can be obtained like:
babel -Hfs
Chris
Anand wrote:
> Dear Noel,
>
> I am actually forming an fs file of the output and command line that i use
> is
>
> babel database.fs -sSMILES output.smi
>
>
> Regards
> Anand
>
>
>
>
> ----- Original Message -----
> From: "Noel O'Boyle" <bao...@gm...>
> To: "Anand" <an...@av...>
> Cc: <Ope...@li...>
> Sent: Sunday, June 15, 2008 1:35 AM
> Subject: Re: [OpenBabel-scripting] reg: Fast search options
>
>
>> Hello Anand,
>>
>> Are you using the command line 'babel' or a scripting language? What
>> commands are you using? What error message are you getting?
>>
>> (please Reply All)
>>
>> Regards,
>> Noel
>>
>> 2008/6/12 Anand <an...@av...>:
>>> Greetings,
>>>
>>> Hi everyone,
>>>
>>> I am interested in doing a fast search against of a host of smiles
>>> converted
>>> to fs format.But unfortunately the result size does not exceed 4000. Is
>>> this
>>> the wholesome limit or is it possible to increase the limit for
>>> substructure
>>> searching.
>>>
>>> Is there any alternate way to acheive this
>>>
>>> Regards
>>> Anand
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>
>
>
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