Dear Greg,

Thank you for the rapid response.

It seems to be very difficult for me, so I will consider how to do it.

Thank you very much.

Have a nice vacation.

Hiroyuki Yamasaki

2017年8月18日(金) 16:58 Greg Landrum <greg.land...@gmail.com>:

> Hi Hiroyuki,
>
> On Fri, Aug 18, 2017 at 12:19 AM, 山崎広之 <yamasaki....@gmail.com> wrote:
>
>>
>> I use PostgreSQL with RDKit database cartridge.
>>
>> And, I want to know if I can use my structure fingerprint instead of
>> default fingerprint (Pattern fingerprints?) for substructure search.
>>
>
> That should be possible, but it does require making changes to the source
> code of the rdkit cartridge itself, so it's not something to try unless you
> are comfortable working in C++.
>
> The function that you need to modify is here:
>
> https://github.com/rdkit/rdkit/blob/master/Code/PgSQL/rdkit/adapter.cpp#L386
> specifically around this line:
>
> https://github.com/rdkit/rdkit/blob/master/Code/PgSQL/rdkit/adapter.cpp#L392
>
> You would also need to let the build system know where to find the library
> that has your new fingerprinting function (by editing the cartridge's
> CMakeLists.txt file).
>
> -greg
>
>
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