void setupLobe() {
		psi_n = 3;
		psi_l = 2;
		psi_m = 0;
		// using Hens Borkent's 3dz2 lobe idea
		psi_Znuc = 15;
		if (center.x == Float.MAX_VALUE)
			center.set(0, 0, 0);
		float radius = lobe_sizeAngstroms * 1.1f * eccentricityRatio * eccentricityScale;
		if (eccentricityScale > 0 && eccentricityScale < 1)
			radius /= eccentricityScale;
		setVoxelRange(0, -radius, radius, lobe_ptsPerAngstrom, lobe_gridMax);
		setVoxelRange(1, -radius, radius, lobe_ptsPerAngstrom, lobe_gridMax);
		setVoxelRange(2, 0, radius / eccentricityRatio, lobe_ptsPerAngstrom, lobe_gridMax);
		jvxlFileHeader = new StringBuffer();
		jvxlFileHeader.append("lobe \nn="
				+ psi_n
				+ ", l="
				+ psi_l
				+ ", m="
				+ psi_m
				+ " Znuc="
				+ psi_Znuc
				+ " res="
				+ lobe_ptsPerAngstrom
				+ " rad="
				+ radius
				+ (isAnisotropic ? " anisotropy=(" + anisotropy[0] + "," + anisotropy[1] + "," + anisotropy[2] + ")"
						: "") + "\n");
		jvxlFileHeader.append(jvxlGetVolumeHeader(2));
		atomCount = 0;
		negativeAtomCount = false;
		calcFactors(psi_n, psi_l, psi_m);
	}