View Region Definition Dialog Box

Region Definition Dialog Box

Region: radio button set: {Atom Center...|Molecule Extents|Coordinates Center|Interfacial Region|Sybyl Region File...}; Choose how the map region is to be defined: Atom Center... means that the center of the region is one atom; Molecule Extents means that the region is defined by the coordinate limits of a molecule; Coordinates Center means that the center of the region is an arbitrary point in cartesian space; Interfacial Region means that the intersection of two molecules define the region; and Sybyl Region File... means that an existing data file defines the region.
Molecule...: push button; This button is active if Region is Molecule Extents or Interfacial Region. Choose a molecule from the provided list. For Molecule Extents, the region will be defined as the size of the chosen molecule modified by the value of Margin.
Molecule2...: push button; This button is only active if Region is Interfacial Region. Choose a molecule (different from above) from the provided list. The region will be defined as the intersection space of Molecule and Molecule2 modified by the value of Margin.
Coordinates: X Position, Y Position, Z Position: field(s); Enter the X, Y, and Z coordinates (in Angstroms) of an arbitrary point in space to be the center of the region. This coordinate point will be modified by the value of Margin to describe the map region.
Margin: field; Margin (in Angstroms) is subtracted from the minimum x, y, and z coordinates of the raw region, and added to the maximum x, y, and z coordinates of the raw region to define the final map region.
Grid Resolution: field; The Grid Resolution is the spacing in Angstroms between adjacent grid points in all three directions.
Write Region File: check box; Select this check box if you wish the resulting grid region definition to be written to a disk file. You may want to reuse this definition for a map calculation on a similar molecule.
Region File: field; This field specifies the name of the region that will be written if Write Region File is set to On. The SYBYL convention for region files is to name them as .rgn files.