NBOSearch: COMMAND SYNTAX AND PROGRAM OVERVIEW PROGRAM OVERVIEW: Follow menu prompts through the decision tree to the keyword module and datum of interest. Each menu appears with 'Current [V-list] settings' and a scrolling list of output values. All output lines are also echoed to an external NBOLOG$$.DAT file and error messages go to NBOERR$$.DAT for later reference. GENERAL 'M V n' COMMAND SYNTAX: NBOSearch user responses generally consist of 'commands' (replies to prompts) of the form 'M (V (n))', where M (integer) = [M]enu selection from displayed items V (character) = [V]ariable data type to be selected [J](obname) [B](asis) [O](rbital number) [A](tom number, in context) [U](nit number) [d](onor NBO number) [a](cceptor NBO number, in context) n (integer) = [n]umber of the desired O/A/U/d/a selection Responses may also be of simple 'M', 'V', or 'Vn' form , where 'M' : selects a numbered menu choice (for current [V] choices) 'V' : requests a menu of [V] choices 'Vn': selects [V] number 'n' (and current [S]) Note that [V]-input is case-insensitive, so 'A' (or 'a') is interpreted as 'atom' or 'acceptor' according to context. Note also that 'Vn' commands can be given in separated 'V n' form. Although not explicitly included in each active [V]-select list, the 'H'(elp) key is recognized at each prompt. For NRT search (only) variable [V] may also be 'R' (for resonance structure' and A' (for 'interacting atom'). Current A (atom) and A' (interacting atom) values determine the current A-A\' 'bond' selection small fractional bond order.) EXAMPLES: '2 a7' : requests menu item 2 for atom 7 (if A-select active) '3 o2' : requests menu item 3 for orbital 2