TABLE OF CONTENTS

::pwtk::boxSize

SYNOPSIS

proc ::pwtk::boxSize {atmPos} {

PURPOSE

Return the edge lengths of the "atmPos" molecular bounding box.

RETURN VALUE

The box edge lengths as the "size_x size_y size_z" list.

SOURCE

    lassign [boundingBox $atmPos]  min(1) max(1) min(2) max(2) min(3) max(3)
    foreach i {1 2 3} { lappend result [expr $max($i) - $min($i)] }
    return $result
}