Schrödinger Binding Site Prediction (SiteMap)

This protocol predicts the most promising binding sites on the structure using SiteMap.

Input

Note

All parameters include a help button that gives further information for each of them.

Schrödinger Binding Site Prediction form

The result of this protocol is a SetOfStructROIs (Structural Regions Of Interest), containing the predicted binding sites. The user can visualize them using Analyze Results, which will display the General StructROIs viewer.

Test

This protocol has an integrated test that can be run using the following command:

scipion3 tests pwchemSchrodinger.tests.main_wf.TestSitemap