Thank you very much, Noel and Chris.
Best regards.
> On 11/01/2012 14:23, David García Aristegui wrote:
>> "First of all, you need to create a fastsearch index (see above). The
>> index is created with the following command:
>>
>> babel mymols.sdf -ofs"
>>
>> http://openbabel.org/docs/dev/Fingerpr
On 11/01/2012 14:23, David García Aristegui wrote:
> "First of all, you need to create a fastsearch index (see above). The
> index is created with the following command:
>
> babel mymols.sdf -ofs"
>
> http://openbabel.org/docs/dev/Fingerprints/fingerprints.html
>
> Could you please tell me the diff
FP2 is a Daylight-type fingerprint. It is based only on connectivity,
and does not incorporate any stereochemical information, so 2D or 3D
structures will give the same results.
- Noel
On 11 January 2012 14:23, David García Aristegui wrote:
> "First of all, you need to create a fastsearch index
"First of all, you need to create a fastsearch index (see above). The
index is created with the following command:
babel mymols.sdf -ofs"
http://openbabel.org/docs/dev/Fingerprints/fingerprints.html
Could you please tell me the differences between the use of a 2D or a 3D
sdf file regarding the .
