TABLE OF CONTENTS


::pwtk::nebi::visualize

SYNOPSIS

proc ::pwtk::nebi::visualize {} {

PURPOSE

Vizualize the structure from neb.x input file with xcrysden. If xcrysden is not detected, the input file is merely printed to stdout.

SOURCE

    global env
    if { [info exists env(XCRYSDEN_TOPDIR)] || [auto_execok xcrysden] != "" } {
        set input [::fileutil::tempfile neb.]
        ::pwtk::nebi::fprint_old $input
        catch {exec xcrysden --pwi $input}
    } else {
        # we don't have xcrysden: simply print the input to
        # stdout
        ::pwtk::nebi_fprint
    }
}