NOM atome

        Package atome

SYNOPSIS

        use atome;

        print $atome1->distanceAtome($atome2)

        computes the distance between 2 atoms. atome is a superclass. oxygene, azote, carbon, soufre, heteroatome inherits from it.

DESCRIPTION

new($x,$y,$z)

        package constructor

setNumAtome()

        modify the attribute numatome

getNumAtome()

        print $atome->getNumAtome()."\n";

        returns the number of the atome

setX()

        modify the x attribute

getX()

        print $atome->getX()."\n";

        returns x

setY()

        modify the y attribute

getY()

        print $atome->getY()."\n";

        returns y

setZ()

        modify the z attribute

getZ()

        print $atome->getZ()."\n";

        returns z

setSas()

        modify the sas attribute

getSas()

        print $atome->getSas()."\n";

        returns sas

distanceAtome()

        print $atome1->distanceAtome($atome2)."\n";

        computes the distance between 2 atoms

calculAngle()

        print $acceptor->calculAngle($neighbor, $donor, $dist1, $dist2)."\n";

        computes the angle between 3 atoms: donor, acceptor and the direct neighbor of the acceptor atom