TABLE OF CONTENTS


::pwtk::deleteCoorRange

SYNOPSIS

proc ::pwtk::deleteCoorRange {from to coor} {

PURPOSE

Delete requested range of atoms from the supplied coordinates.

ARGUMENTS

SOURCE

    # replace "end" with number-of-atoms
    set to [regsub {^end} $to [::pwtk::getNAtoms $coor]]
    
    set from [::pwtk::evalExpr $from]
    set to   [::pwtk::evalExpr $to]
    
    if { $from > $to } {
        pwtk::error "\"from\" index is larger than \"to\" index, while executing:
deleteCoorRange $from $to { $coor }" 1
    }
    return [deleteCoor [seq $from $to] $coor]    
}