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 creating process than the command line utilities, as well as a way to visualize all 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 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 command line or click on the “make_receptor” icon from Dock on OSX; type “make_receptor” on DOS prompt or click on the “make_receptor” shortcut from Desktop on Windows; type “make_receptor” on command line on Linux.