Pocket finder, Qfinder, SCFbio, Cast-p and q-site finder, swiss-modeller, etc

SwissDock (http://www.swissdock.ch/docking)

PatchDock Server (https://bioinfo3d.cs.tau.ac.il/PatchDock/)

You can also see the link below that has introduced more online servers

https://en.wikipedia.org/wiki/List_of_protein-ligand_docking_software

Find out the active site information from the literatures.

The following commercial tools for active site prediction are;

1. Sitemap

2. ICM-PocketFinder

http://www.molsoft.com/icmpocketfinder.html

3. Sitefinder

https://rcweb.dartmouth.edu/doc/MOE/Documentation/apps/sitefind.htm

The online tools below are freely available :

1. Castp

http://sts.bioe.uic.edu/castp/index.html?3trg

2.fpocket

https://bioserv.rpbs.univ-paris-diderot.fr/services/fpocket/

3.3DLigandStie

http://www.sbg.bio.ic.ac.uk/~3dligandsite/

4.metapocket 2.0

https://projects.biotec.tu-dresden.de/metapocket/