Knowledge Base

Article ID: 343 - Last Modified: May 9, 2011

How do I selectively rotate or translate a ligand within its binding site? I want to manually dock the ligand.

Use the Local transformation tool, which allows you to rotate or translate the selected atoms. Click and hold on the Transform toolbar button (Local transformation prior to 2011) and choose Molecule from the menu. Then pick an atom in the ligand. You can now translate or rotate the ligand. To switch out of local transformation mode temporarily, hold down the space bar. You can then rotate or translate the entire structure.

To set the center for rotation, click and hold on the toolbar button and choose Advanced (Suite 2010 on) or Global/Local (earlier releases). You can then use the tools in this dialog box to pick the center of rotation.

Keywords: Local, Global, transformation, translation, ligand, binding site, pocket, selectively

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles