2 MAKE_DELETE
File: make_delete.txt
Last modified: 27-sept-94

The MAKE_DELETE menu block is here to support your manual
modeling of molecules either by allowing you to create or
delete covalent BONDS (MAKE_BON, DELE_BON), manipulate the
pair list (MAKE_PAIR, INIT_PAIR, PAIR_D_?) and on it based
energy distance constrains (ENE_PAIR), create atoms in space
(MAKE_ATO) and delete atoms included in the key 'active'
(DELE_ACT).

3 MAKE_BON
> JOIN atom-num1  atom-num2

A covalent BOND between the last 2 PICKED atoms is formed.

3 MAKE_ATO
> make atom coordinate 3*real
> image color 222 select atom number natom end atom cross

MAKES an ATOM with the name X at the current image CENTER
position and displays it as a CROSS.

3 MAKE_PAR
> make pair $2 $1
> define pair force force_pair pair dist 0.0 -
>      select atom number #2 $1 end 

MAKES a PAIR from the last 2 PICKED atoms and defines a
distance constraint between them.

3 DELE_BON
> DELETE BOND atom-num1 atom-num2

A covalent BOND between the last 2 PICKED atoms can be
DELETED or created (JOIN).

3 DELE_ACT
> delete atom select active end

DELETES current 'active' selection.   You must confirm the
deletion.

3 INIT_PAR
> make pair init

INITIALIZES the pair list by the setting pair counter to 0.

3 PAIR_D_?
> inquire PAIR_DIST "DISTANCE:"
> make pair atom-num1 atom-num2
> define pair force force_pair pair dist 0.0 -
>      select atom number atom-num1 atom-num2 end 

Asks for the target distance (PAIR_DIST) and MAKES a PAIR
from the last 2 PICKED atoms and defines a distance constraint
between them.