code for generating fingerprints through marvinsketch

code for generating fingerprints through marvinsketch

Hi Seerat,

 

If I have understood your statement correctly, you are asking how one might generate fingerprints from Marvin Sketch?

Honestly, I don't think this can be done in Marvin Sketch but you can generated calculated properties which could be used as descriptor ?

You could access the structrual FP keys via a GROOVY script in IJC but these are generally for internal usage and should not be modified without good reason.

Please provide us more information on your intentions?

Thanks,

Daniel.

Hello Sir

Thanx for your reply

Actually i am doing Sub structural search using PHP and MYSQl where i have to generate fingerprints for my queryso that i can match these fingerprints with in the database to get the accurate results.

 

Seerat

If you are wanting to generate fingerprints programatically then this can be done using the APIs. If you need details on this then I would suggest posting a question to this forum as it is outside the scope of IJC:
https://www.chemaxon.com/forum/forum9.html

Tim