Overview

Make Receptor is a graphical utility for creating or modifying a receptor. Receptors are specialized design unit (OEDU) files used by FRED and HYBRID that contain the location and shape of the active site, and optionally the docking constraints.

Receptors can also be created using the SPRUCE and ReceptorInDU command line utilities. These utilities create receptors with default settings with fairly minimal user input and are generally very effective.

Note

Receptors created with the command line utilities can be edited with the Make Receptor GUI.

Make Receptor provides the users with more control over the receptor creation process than the command line utilities, as well as a way to visualize all the information contained in a receptor. The following capabilities of the Make Receptor program are either unavailable or difficult to execute from the command line tools.

• Creating a receptor with crystallographic water that ligands will interact with.

• Creating a receptor with constraints or adding constraints to an existing receptor.

• Visualizing and editing the size of the inner and outer contour shapes (see Receptor Theory).

To start Make Receptor, type “make_receptor” on the command line or click on the Make Receptor icon from Dock on OSX; type “make_receptor” on the DOS prompt or click on the Make Receptor shortcut from Desktop on Windows; or type “make_receptor” on the command line on Linux.