Calculate the min/max coordinates for specified atoms. Can be used to create grid data sets.

bounds [<mask>] [out <filename>] [dx <dx> [dy <dy>] [dz <dz>] name <gridname> [offset <bin offset>]]

[<mask>] Mask of atoms to determine bounds of.
[out <filename>] File to write bounds to (default STDOUT if not specified).
[dx <dx> [dy <dy>] [dz <dz>]] Triggers creation of a grid data set from bounds. Spacings of generated grid in the X, Y and Z directions. If only dx is specified <dx> will be used for <dy> and <dz> as well.
[name <gridname>] Name of generated grid data set.
[offset <bin offset>] Number of bins to add/subtract in each direction to generated grid.

Calculate the boundaries (i.e. the max/min X/Y/Z coordinates) of atoms in <mask> and write to <filename> (STDOUT if not specified). Useful for determining dimensions for the grid command, and can be used to generate a grid data set that can be used by the grid command.