void GridAnalysis::moveProbeGroup_(const Vector3& destination)
{
TMatrix4x4<float> M;
Vector3 translation_vector = destination-center_;
M.setTranslation(translation_vector);
for (AtomIterator it = probe_group_.beginAtom(); +it; it++)
{
it->setPosition(M*it->getPosition());
}
center_ = destination;
}
void IMGDock::translateLigand(Vector3& v)
{
TMatrix4x4<float> M;
M.setTranslation(v);
// transform all atoms of the ligand
for (AtomIterator it = ligand_->beginAtom(); it != ligand_->endAtom(); it++)
{
it->setPosition(M*it->getPosition());
}
}