NAME
     CalcHbond - find H-bonds

SYNOPSIS
     CalcHbond expr expr expr
	 ( 0 | 1 ) ( 0 | 1 ) ( 0 | 1 ) ( 0 | 1 )

DESCRIPTION
     Find pairs of selected atoms where the first one is
     a donor and the second one an acceptor for an H-bond,
     the distance between the two atoms is smaller than
     the first argument, and the angle between the line
     from the atom connected to the donor and the donor
     and the line from the atom connected to the donor
     and the acceptor is smaller than the second argument.

     The first option determines whether H-bonds within
     structures or H-bonds between atoms of different
     structures are desired.

     Depending on the other three options, the command will
     create a report with the H-bonds, a macro to add the
     H-bonds to all selected structures (can e. g. be used
     to add them to a mean structure later) and will add
     them to the display. Only H-bonds that appear in a
     minimal number of structures given as third argument
     appear in the report and the macro.

     In the report produced by this command, a table of
     H-bonds will be created for each set of molecules
     with the same structure. A '+' sign indicates that the
     H-bond is present in the molecule corresponding to
     the column. The '+' sign is replaced by a '5' for
     molecules 5, 15, 25, ... and by a '0' for molecules
     10, 20, 30, ...

     This command supports groups.

EXAMPLE
     CalcHbond 2.4 35 10 0 1 0 1

SEE ALSO
     SelectAtom, Group, AddHbond, RemoveDist

DATE
     981101
