DELETE

DELETE.TEX 24-OCT-91

DELETES the SELECTED ATOMS, BONDS, HYDROGEN bonds, PAIRS, ENERGY terms. The SELECTION is required. There is no default selection.

Syntax 


DELETE BOND  atom-num1 atom-num2
             SELECT ... END
       HBOND SELECT ... END
       PAIR(S)



       ATOM  SELECT ... END



       ENERGY  BOND        SELECT ... END
               ANGLE
               DIHEDRAL
               IMPROPER



       VARIABLE string
       MAP int

BOND

DELETE BOND atom-num1 atom-num2 

            SELECT ... END

DELETE BOND atom-num1 atom-num2 DELETES only the BOND between specified atoms when it exists. When an SELECTION is used instead of an atom pair, then only the bonds connecting atoms within the selection are deleted. A covalent bond between a selected atom and one that is not included in the selection is preserved.

ATOM

DELETE ATOM SELECT ... END

All the data referring to specified atoms and atoms are deleted. The SELECTION flags for remaining atoms are preserved. The connectivity table (CATBLE) and ZTABLE (connections of internal coordinates) are correspondingly updated as well as the ENERGY term lists.

PAIR

DELETE PAIRS SELECT ... END

A PAIR of atoms is removed from the PAIR list only when both atoms are SELECTED.

HBOND

DELETE HBONDS SELECT ... END

A Hydrogen bond is removed from the hydrogen bond list only when both atoms (donor and acceptor) are SELECTED.

ENERGY

DELETE ENERGY BOND SELECT ... END 

              ANGLE
              DIHEDRAL
              IMPROPER
              CONSTRAINT

DELETES from the specified ENERGY term list the contributins of the SELECTED atoms.

VARIABLE 


... VARIABLE string

Deletes variables with the given variable name. Wild characters as '*' or '%' can be used as well.

MAP 


... MAP inte

Deletes a specified map. When no map is specified (an integer is not given) all maps will be deleted.