Have Ball-Project implemented LIGSITE Algorithm?

BALL-Project / ball

The Biochemical Algorithms Library

GNU Lesser General Public License v2.1

72 stars 31 forks source link

Have Ball-Project implemented LIGSITE Algorithm? #613

Closed ludlows closed 7 years ago

ludlows commented 7 years ago

Dear friends,

I am doing research on map binding site to vector. But I need to detect it at first. So I decide to use LIGSITE to do it in Ball-Project. Have you implemented it in this repository?

Thank you!

philthiel commented 7 years ago

Dear WangMiao,

no, we haven't implemented LIGSITE. BALL currently offers the PASS algorithm for pocket detection implemented in BALL/bindingPocketProcessor.h ( Caetano Traina, et al, 2000: Fast Feature Selection Using Fractal Dimension).

Best, Philipp

ludlows commented 7 years ago

Thank U, Philipp. Another question: Can I call Ball code from Python?

philthiel commented 7 years ago

Yes you can. Build BALL with Python support (default if Python devel and SIP can be found). Have a look here: http://www.ball-project.org/installation/ You will find OS specific build and setup instructions!

ludlows commented 7 years ago

Thank you for your warm response!

philthiel commented 7 years ago

You're welcome!

Btw, we have a mailing list that you can use for questions ; ) https://groups.google.com/forum/#!forum/ball-user-list