From 47f9a78df9facf86ed77b80f7df97fc8c1d6807a Mon Sep 17 00:00:00 2001
From: toshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Date: Mon, 17 Mar 2014 05:18:52 +0000
Subject: [PATCH] Line/Ball-and-stick/Space-filling modes are implemented

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@473 a2be9bc6-48de-4e38-9406-05402d4bc13c
---
 MolLib/MainView.c            | 239 ++++++++-----------------------------------
 MolLib/MainView.h            |   6 +-
 MolLib/MainViewCommon.c      |   4 +-
 MolLib/Molecule.c            |  65 ++++++++----
 MolLib/Ruby_bind/ruby_bind.c | 123 +++++++++++++++++++++-
 MolLib/Trackball.c           |  58 ++++-------
 MolLib/Trackball.h           |  30 +++---
 Scripts/view.rb              |  76 ++++++++++++--
 wxSources/MyApp.cpp          |   2 +-
 9 files changed, 317 insertions(+), 286 deletions(-)

diff --git a/MolLib/MainView.c b/MolLib/MainView.c
index 5525e52..769b51d 100755
--- a/MolLib/MainView.c
+++ b/MolLib/MainView.c
@@ -223,7 +223,7 @@ void
 MainView_resizeToFit(MainView *mview)
 {
 	Vector p;
-	float f[4];
+	double f[4];
 	if (mview == NULL || mview->mol == NULL)
 		return;
 	if (mview->mol->natoms == 0) {
@@ -231,8 +231,6 @@ MainView_resizeToFit(MainView *mview)
 		return;
 	}
 	MoleculeCenterOfMass(mview->mol, &p, NULL);
-/*	if (mview->mol->is_xtal_coord)
-		TransformVec(&p, mview->mol->cell->tr, &p); */
 	f[0] = -p.x / mview->dimension;
 	f[1] = -p.y / mview->dimension;
 	f[2] = -p.z / mview->dimension;
@@ -250,8 +248,6 @@ MainView_resizeToFit(MainView *mview)
 		double r0 = 0.0, r1, scale;
 		for (i = 0, ap = mview->mol->atoms; i < mview->mol->natoms; i++, ap = ATOM_NEXT(ap)) {
 			q = ap->r;
-		/*	if (mview->mol->is_xtal_coord)
-				TransformVec(&q, mview->mol->cell->tr, &q); */
 			VecDec(q, p);
 			r1 = VecLength(q);
 			if (r1 > r0)
@@ -268,96 +264,10 @@ MainView_resizeToFit(MainView *mview)
 	}
 
 	MainViewCallback_setNeedsDisplay(mview, 1);
-
-#if 0
-	GLdouble mm[4][4];
-	GLdouble p0[4];
-	int i, j, natoms;
-	const Atom *ap;
-	const ElementPar *app;
-	GLdouble *pp, *p1;
-	GLdouble max[3], min[3], center[3];
-	float frame[4], width, height, cot15, rsin15, cot_th, rsin_th, d, trans[3];
-	Molecule *mol;
-	
-	if (mview == NULL || mview->mol == NULL)
-		return;
-	mol = mview->mol;
-	
-	/*  Transform the coordinates of all atoms with the rotation part of
-	 *  the model-view matrix  */
-	memmove((GLdouble *)mm, mview->modelview_matrix, sizeof(float) * 16);
-	natoms = mol->natoms;
-	pp = (GLdouble *)calloc(sizeof(GLdouble), 4 * natoms);
-	MALLOC_CHECK(pp, "resizing the model to fit");
-	for (i = 0; i < natoms; i++) {
-		ap = ATOM_AT_INDEX(mol->atoms, i);
-		if (ap == NULL)
-			continue;
-		p0[0] = ap->r.x; p0[1] = ap->r.y; p0[2] = ap->r.z;
-		p0[3] = 0.0;  /*  This disables the translation part  */
-		p1 = &pp[i * 4];
-		MAT_DOT_VEC_4X4(p1, mm, p0);  /* #define'd in GLUT/vvector.h */
-	}
-	
-	/*  Determine the center for each axis  */
-	max[0] = max[1] = max[2] = -1e20;
-	min[0] = min[1] = min[2] = 1e20;
-	for (i = 0; i < natoms; i++) {
-		p1 = &pp[i * 4];
-		for (j = 0; j < 3; j++) {
-			if (p1[j] > max[j])
-				max[j] = p1[j];
-			if (p1[j] < min[j])
-				min[j] = p1[j];
-		}
-	}
-	for (j = 0; j < 3; j++)
-		center[j] = (min[j] + max[j]) * 0.5;
-	
-	/*  Get the frame size  */
-	MainViewCallback_frame(mview, frame);
-	width = frame[2] - frame[0];
-	height = frame[3] - frame[1];
-
-	/*  Calculate the minimum distance from which the view angle of
-	 *  the atom becomes no more than 15 degree (for the y direction)
-	 *  and theta degree (for the x direction, theta = arctan(h/w*tan(15 deg))) */
-	cot15 = 3.73205080756888;
-	rsin15 = 3.86370330515628;
-	cot_th = width / height * cot15;
-	rsin_th = sqrt(1.0 + cot_th * cot_th);
-	d = 0;
-	for (i = 0; i < natoms; i++) {
-		float dx, dy, z, r;
-		ap = ATOM_AT_INDEX(mol->atoms, i);
-		if (ap == NULL)
-			continue;
-		app = &(gBuiltinParameters->atomPars[ap->atomicNumber]);
-		if (app == NULL)
-			continue;
-		r = app->radius * mview->atomRadius;
-		z = pp[i * 4 + 2] - center[2];
-		dx = pp[i * 4] * cot_th + r * rsin_th + z;
-		dy = pp[i * 4 + 1] * cot15 + r * rsin15 + z;
-		if (d < dx)
-			d = dx;
-		if (d < dy)
-			d = dy;
-	}
-	mview->dimension = d / cot15;
-	TrackballSetScale(mview->track, 1.0);
-	trans[0] = center[0] / mview->dimension;
-	trans[1] = center[1] / mview->dimension;
-	trans[2] = center[2] / mview->dimension;
-	TrackballSetTranslate(mview->track, trans);
-
-	free(pp);
-#endif
 }
 
 int
-MainView_convertScreenPositionToObjectPosition(MainView *mview, const GLfloat *screenPos, GLfloat *objectPos)
+MainView_convertScreenPositionToObjectPosition(MainView *mview, const GLfloat *screenPos, double *objectPos)
 {
 	float rect[4];
     GLint viewport[4], n;
@@ -387,7 +297,7 @@ MainView_convertScreenPositionToObjectPosition(MainView *mview, const GLfloat *s
 }
 
 int
-MainView_convertObjectPositionToScreenPosition(MainView *mview, const GLfloat *objectPos, GLfloat *screenPos)
+MainView_convertObjectPositionToScreenPosition(MainView *mview, const double *objectPos, GLfloat *screenPos)
 {
 	float rect[4];
     GLint viewport[4];
@@ -411,7 +321,8 @@ MainView_convertObjectPositionToScreenPosition(MainView *mview, const GLfloat *o
 int
 MainView_findObjectAtPoint(MainView *mview, const float *mousePos, int *outIndex1, int *outIndex2, int mouseCheck, int ignoreExpandedAtoms)
 {
-	float screenPos[3], op[3], oq[3], pqlen, pqlen2;
+	float screenPos[3];
+	double op[3], oq[3], pqlen, pqlen2;
 	Vector pq, pa, v1, r1, r2;
     int i, natoms, nbonds;
 	float r, d2, z;
@@ -428,7 +339,6 @@ MainView_findObjectAtPoint(MainView *mview, const float *mousePos, int *outIndex
 	}
 	mol = mview->mol;
 
-#if 1
 	screenPos[0] = mousePos[0];
 	screenPos[1] = mousePos[1];
 	screenPos[2] = -1.0;
@@ -450,7 +360,7 @@ MainView_findObjectAtPoint(MainView *mview, const float *mousePos, int *outIndex
 	minDepth = 100.0;
 	for (i = 0; i < natoms; i++) {
 		Vector pq1, pa1;
-		float pq1len2, pq1len;
+		double pq1len2, pq1len;
 		if (mouseCheck && i % 50 == 0 && MainViewCallback_mouseCheck(mview))
 			return 0;  /*  If mouse event is detected return immediately  */
 		/*  Examine if an atom is visible or not  */
@@ -470,7 +380,7 @@ MainView_findObjectAtPoint(MainView *mview, const float *mousePos, int *outIndex
 		pa.x = r1.x - op[0];
 		pa.y = r1.y - op[1];
 		pa.z = r1.z - op[2];
-		if (ap->aniso != NULL) {
+		if (mview->showEllipsoids && ap->aniso != NULL) {
 			/*  Convert to ellipsoid principal axes  */
 			Mat33 m1;
 			Aniso *anp = ap->aniso;
@@ -487,7 +397,7 @@ MainView_findObjectAtPoint(MainView *mview, const float *mousePos, int *outIndex
 				ep = &(gElementParameters[ap->atomicNumber]);
 				if (ep == NULL)
 					continue;
-				r = ep->radius * mview->atomRadius;
+				r = ep->radius * 2 * mview->atomRadius;
 			}
 			pa1 = pa;
 			pq1 = pq;
@@ -574,76 +484,6 @@ MainView_findObjectAtPoint(MainView *mview, const float *mousePos, int *outIndex
 	*outIndex1 = n1;
 	*outIndex2 = n2;
 	return (n1 >= 0 || n2 >= 0);
-		
-#else
-	/*  Examine if anything is drawn at the point  */
-	screenPos[0] = mousePos[0];
-	screenPos[1] = mousePos[1];
-	screenPos[2] = -1.0;
-	if (MainView_convertScreenPositionToObjectPosition(mview, screenPos, objectPos) == 0)
-		return 0;  /*  Nothing is here  */
-	op[0] = objectPos[0];
-	op[1] = objectPos[1];
-	op[2] = objectPos[2];
-
-	/*  Examine the distance from the atom center with op, and select the one
-	    with the smallest difference with the radius on the screen  */
-	atomRadius = mview->atomRadius;
-	bondRadius = mview->bondRadius;
-	natoms = mol->natoms;
-	mindr = 100.0;
-	n1 = n2 = -1;
-    for (i = 0; i < natoms; i++) {
-        ap = ATOM_AT_INDEX(mol->atoms, i);
-		if (ap == NULL)
-			continue;
-		dp = &(gBuiltinParameters->atomPars[ap->atomicNumber]);
-		if (dp == NULL)
-			continue;
-		p[0] = objectPos[0] - ap->r.x;
-		p[1] = objectPos[1] - ap->r.y;
-		p[2] = objectPos[2] - ap->r.z;
-		rr = sqrt(p[0]*p[0] + p[1]*p[1] + p[2]*p[2]) / (dp->radius * atomRadius);
-		dr = fabs(1.0 - rr);
-		if (dr < mindr) {
-			mindr = dr;
-			n1 = i;
-		}
-	}
-	if (mindr > 0.1)
-		n1 = -1;
-	nbonds = mol->nbonds;
-    for (i = 0; i < nbonds; i++) {
-		float q;
-		ip = &(mol->bonds[i * 2]);
-		ap = ATOM_AT_INDEX(mol->atoms, ip[0]);
-		bp = ATOM_AT_INDEX(mol->atoms, ip[1]);
-		p[0] = objectPos[0] - ap->r.x;
-		p[1] = objectPos[1] - ap->r.y;
-		p[2] = objectPos[2] - ap->r.z;
-		b[0] = bp->r.x - ap->r.x;
-		b[1] = bp->r.y - ap->r.y;
-		b[2] = bp->r.z - ap->r.z;
-		/*  ap.r + q*(b[0],b[1],b[2]) is the closest point on line AB to objectPos */
-		/*  If q is outside [0, 1] then the point is outside the line segment AB
-		    so it is ignored  */
-		q = (p[0]*b[0]+p[1]*b[1]+p[2]*b[2])/(b[0]*b[0]+b[1]*b[1]+b[2]*b[2]);
-		if (q < 0 || q > 1)
-			continue;
-		p[0] -= q * b[0];
-		p[1] -= q * b[1];
-		p[2] -= q * b[2];
-		dr = fabs(bondRadius - sqrt(p[0]*p[0] + p[1]*p[1] + p[2]*p[2]));
-		if (dr < mindr) {
-			mindr = dr;
-			n1 = ip[0];
-			n2 = ip[1];
-		}
-    }
-	*outIndex1 = n1;
-	*outIndex2 = n2;
-	return (n1 >= 0 || n2 >= 0);
-#endif
 }
 
 int
@@ -653,7 +493,7 @@ MainView_screenCenterPointOfAtom(MainView *mview, int index, float *outScreenPos
 	const ElementPar *dp;
 	Vector cv, pv, v;
 	Double rad, w;
-	float p[3];
+	double p[3];
 
 	if (mview == NULL || mview->mol == NULL || index < 0 || index >= mview->mol->natoms)
 		return 0;
@@ -696,7 +536,7 @@ MainView_screenCenterPointOfAtom(MainView *mview, int index, float *outScreenPos
 		}
 	} else {
 		dp = &(gElementParameters[ap->atomicNumber]);
-		rad = dp->radius * mview->atomRadius;
+		rad = dp->radius * 2 * mview->atomRadius;
 		w = rad / VecLength(pv) * 1.1;
 		VecScaleSelf(pv, w);
 	}
@@ -1021,7 +861,7 @@ temporarySelection(MainView *mview, int flags, int clickCount, int ignoreExpande
 				continue;
 			if (mview->draggingMode == kMainViewSelectingRegion) {
 				/*  Check if this atom is within the selection rectangle  */
-				GLfloat objectPos[3];
+				double objectPos[3];
 				GLfloat screenPos[3];
 				Vector r1;
 				r1 = ap->r;
@@ -1141,6 +981,7 @@ drawAtom(MainView *mview, int i1, int selected, const Vector *dragOffset, const
 	int expanded = 0;
 	Vector r1;
 	GLfloat p[6];
+	double pp[3];
 	char label[16];
 	GLfloat rgba[4];
 	Transform *trp = NULL;
@@ -1211,21 +1052,24 @@ drawAtom(MainView *mview, int i1, int selected, const Vector *dragOffset, const
 				for (i = 0; i < 9; i++)
 					elip[i] = ap->aniso->pmat[i] * mview->probabilityScale;
 			}
-			drawEllipsoid(p, elip, elip+3, elip+6, 15);
+			drawEllipsoid(p, elip, elip+3, elip+6, mview->atomResolution * 3 / 2); /* Use higher resolution than spheres */
 		} else {
 			Double rad;
 			if (ap != NULL) {
 				rad = biso2radius(ap->tempFactor);
 				rad *= mview->probabilityScale;
 			} else {
-				rad = dp->radius * mview->atomRadius;
+				rad = dp->radius * 2 * mview->atomRadius;
 			}
-			drawSphere(p, rad, 8);
+			drawSphere(p, rad, mview->atomResolution);
 		}
 	} else {
-		drawSphere(p, dp->radius * mview->atomRadius, 12);
+		drawSphere(p, dp->radius * 2 * mview->atomRadius, mview->atomResolution);
 	}
-	if (MainView_convertObjectPositionToScreenPosition(mview, p, p + 3)) {
+	pp[0] = p[0];
+	pp[1] = p[1];
+	pp[2] = p[2];
+	if (MainView_convertObjectPositionToScreenPosition(mview, pp, p + 3)) {
 	/*	fprintf(stderr, "atom %d: {%f, %f, %f}\n", i1, p[3], p[4], p[5]); */
 		float fp[3];
 		fp[0] = p[3]; fp[1] = p[4]; fp[2] = p[5];
@@ -1324,7 +1168,7 @@ drawBond(MainView *mview, int i1, int i2, int selected, int selected2, int draft
 		glEnd();
 	} else {
 		glMaterialfv(GL_FRONT_AND_BACK, GL_DIFFUSE, rgba);
-		drawCylinder(p, p + 3, mview->bondRadius * rad_mul, 8, 0);
+		drawCylinder(p, p + 3, mview->bondRadius * rad_mul, mview->bondResolution, 0);
 	}
 	dp = &(gElementParameters[an[1]]);
 	if (dp == NULL)
@@ -1356,7 +1200,7 @@ drawBond(MainView *mview, int i1, int i2, int selected, int selected2, int draft
 static void
 calcDragOffset(MainView *mview, Vector *outVector)
 {
-	GLfloat p[6];
+	double p[6];
 	if (mview->draggingMode == kMainViewDraggingSelectedAtoms
 	&& MainView_convertScreenPositionToObjectPosition(mview, mview->dragStartPos, p)
 	&& MainView_convertScreenPositionToObjectPosition(mview, mview->dragEndPos, p + 3)) {
@@ -1684,9 +1528,9 @@ static void
 drawRotationCenter(MainView *mview)
 {
 	GLfloat ps[3], pe[3], col[4];
-	float fd[2];  /*  Fovy and distance  */
-	float tr[3];  /*  Translation  */
-	float r, rr;
+	double fd[2];  /*  Fovy and distance  */
+	double tr[3];  /*  Translation  */
+	double r, rr;
 	if (mview == NULL || !mview->showRotationCenter)
 		return;
 	TrackballGetTranslate(mview->track, tr);
@@ -1828,7 +1672,7 @@ drawLabels(MainView *mview)
 void
 MainView_drawModel(MainView *mview)
 {
-    float w[4], dimension, distance;
+    double w[4], dimension, distance;
 	float frame[4], width, height;
 	GLdouble *pp;
 	Transform mtr;
@@ -2098,8 +1942,10 @@ showAtomsInInfoText(MainView *mview, int n1, int n2)
 void
 MainView_mouseDown(MainView *mview, const float *mousePos, int flags)
 {
-	float p[3];
-	float screenPos[3], objectPos[3];
+	double p[3];
+	float fp[3];
+	float screenPos[3];
+	double objectPos[3];
 	int n1, n2, found;
 	Atom *ap;
 	mview->dragStartPos[0] = mousePos[0];
@@ -2127,11 +1973,11 @@ MainView_mouseDown(MainView *mview, const float *mousePos, int flags)
 				objectPos[0] = r2.x;
 				objectPos[1] = r2.y;
 				objectPos[2] = r2.z;
-				if (MainView_convertObjectPositionToScreenPosition(mview, objectPos, p)) {
+				if (MainView_convertObjectPositionToScreenPosition(mview, objectPos, fp)) {
 					Double w;
-					r1.x = p[0] - screenPos[0];
-					r1.y = p[1] - screenPos[1];
-					r1.z = p[2] - screenPos[2];
+					r1.x = fp[0] - screenPos[0];
+					r1.y = fp[1] - screenPos[1];
+					r1.z = fp[2] - screenPos[2];
 					NormalizeVec(&r1, &r1);
 					r2.x = mousePos[0] - screenPos[0];
 					r2.y = mousePos[1] - screenPos[1];
@@ -2161,8 +2007,8 @@ MainView_mouseDown(MainView *mview, const float *mousePos, int flags)
 		case kTrackballTranslateMode:
 		case kTrackballScaleMode:
 			if (!found) {
-				mousePosToTrackballPos(mview, mousePos, p);
-				TrackballStartDragging(mview->track, p, mview->mode);
+				mousePosToTrackballPos(mview, mousePos, fp);
+				TrackballStartDragging(mview->track, fp, mview->mode);
 				mview->draggingMode = kMainViewMovingTrackball;
 				break;
 			} else {
@@ -2277,7 +2123,8 @@ MainView_mouseDragged(MainView *mview, const float *mousePos, int flags)
 				mview->tempAtoms[1] = n1;
 				mview->tempAtomPos[1] = ap->r;
 			} else {
-				float screenPos[3], objectPos[3];
+				float screenPos[3];
+				double objectPos[3];
 				Vector r1;
 				mview->tempAtoms[1] = -1;
 				/*  Convert the position of temporary atom 0 to screen position */
@@ -2516,7 +2363,7 @@ MainView_rotateBySlider(MainView *mview, float angle, int mode, int mouseStatus,
 			} else return;
 		} else if ((modifierFlags & kAltKeyMask) != 0) {
 			/*  Rotate selection  */
-			float tr[3];
+			double tr[3];
 			if (mview->mol->selection == NULL)
 				return;
 			mview->rotateFragment = IntGroupNewFromIntGroup(mview->mol->selection);
@@ -2574,9 +2421,9 @@ MainView_rotateBySlider(MainView *mview, float angle, int mode, int mouseStatus,
 			}
 			
 		} else {
-			float quat[4];
-			float cs = cos(angle / 2);
-			float sn = sin(angle / 2);
+			double quat[4];
+			double cs = cos(angle / 2);
+			double sn = sin(angle / 2);
 			if (mouseStatus == 0) { /* mouseUp */
 				TrackballEndDragging(mview->track, NULL);
 			} else { /* mouseDragged */
@@ -2647,7 +2494,7 @@ MainView_centerSelection(MainView *mview)
 {
 	IntGroup *ig;
 	Vector c;
-	float tr[3];
+	double tr[3];
 	if (mview == NULL || mview->mol == NULL)
 		return;
 	ig = MoleculeGetSelection(mview->mol);
diff --git a/MolLib/MainView.h b/MolLib/MainView.h
index b25cff8..842bc0c 100755
--- a/MolLib/MainView.h
+++ b/MolLib/MainView.h
@@ -121,8 +121,10 @@ typedef struct MainView {
 	
 	Byte lineMode;     /*  Draw the model with lines  */
 	
-	float atomRadius; /* Scale the vdW radius by this value */
-	float bondRadius; /* in angstrom */
+	float atomRadius; /* Scale the vdW radius by this value (default: 0.2) */
+	float bondRadius; /* in angstrom (default: 0.1) */
+	int   atomResolution; /* Resolution in drawing atoms (default: 12) */
+	int   bondResolution; /* Resolution in drawing atoms (default: 8) */
 	float probabilityScale;
 	Byte  freezeScreen;
 	float dimension;
diff --git a/MolLib/MainViewCommon.c b/MolLib/MainViewCommon.c
index b92759f..c3f7787 100755
--- a/MolLib/MainViewCommon.c
+++ b/MolLib/MainViewCommon.c
@@ -34,8 +34,10 @@ MainView_new(void)
 		/*  Initialize common members (that are used both in GUI and CMD versions  */
 		memset(mview, 0, sizeof(MainView));
 		mview->track = TrackballNew();
-		mview->atomRadius = 0.4;
+		mview->atomRadius = 0.2;
 		mview->bondRadius = 0.1;
+		mview->atomResolution = 12;
+		mview->bondResolution = 8;
 		mview->probabilityScale = 1.5382;
 		mview->dimension = 10.0;
 		mview->showHydrogens = mview->showDummyAtoms = mview->showExpandedAtoms = 1;
diff --git a/MolLib/Molecule.c b/MolLib/Molecule.c
index a3e6913..4274b93 100755
--- a/MolLib/Molecule.c
+++ b/MolLib/Molecule.c
@@ -766,8 +766,8 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 	int ibuf[12];
 	Int iibuf[4];
 	double dbuf[12];
-	int mview_ibuf[16];
-	float mview_fbuf[8];
+	int mview_ibuf[18];
+	double mview_dbuf[10];
 	char cbuf[12][8];
 	const char **pp;
 	char *bufp, *valp, *comp;
@@ -788,9 +788,9 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 		s_append_asprintf(errbuf, "Cannot open file");
 		return 1;
 	}
-	for (i = 0; i < 8; i++)
-		mview_fbuf[i] = kUndefined;
-	for (i = 0; i < 16; i++)
+	for (i = 0; i < 10; i++)
+		mview_dbuf[i] = kUndefined;
+	for (i = 0; i < 18; i++)
 		mview_ibuf[i] = kUndefined;
 	/*	flockfile(fp); */
 	lineNumber = 0;
@@ -1581,11 +1581,11 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 				if (buf[0] == '\n')
 					break;
 				/* scale; trx try trz; theta_deg x y z */
-				if ((i == 0 && sscanf(buf, "%f", &mview_fbuf[0]) < 1)
-					|| (i == 1 && sscanf(buf, "%f %f %f",
-										 &mview_fbuf[1], &mview_fbuf[2], &mview_fbuf[3]) < 3)
-					|| (i == 2 && sscanf(buf, "%f %f %f %f",
-										 &mview_fbuf[4], &mview_fbuf[5], &mview_fbuf[6], &mview_fbuf[7]) < 4)) {
+				if ((i == 0 && sscanf(buf, "%lf", &mview_dbuf[0]) < 1)
+					|| (i == 1 && sscanf(buf, "%lf %lf %lf",
+										 &mview_dbuf[1], &mview_dbuf[2], &mview_dbuf[3]) < 3)
+					|| (i == 2 && sscanf(buf, "%lf %lf %lf %lf",
+										 &mview_dbuf[4], &mview_dbuf[5], &mview_dbuf[6], &mview_dbuf[7]) < 4)) {
 					s_append_asprintf(errbuf, "line %d: bad trackball format", lineNumber);
 					goto err_exit;
 				}
@@ -1615,12 +1615,17 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 					|| (strcmp(comp, "show_rotation_center") == 0 && (i = 7))
 					|| (strcmp(comp, "show_graphite_flag") == 0 && (i = 8))
 					|| (strcmp(comp, "show_periodic_image_flag") == 0 && (i = 9))
-					|| (strcmp(comp, "show_graphite") == 0 && (i = 10))) {
+					|| (strcmp(comp, "show_graphite") == 0 && (i = 10))
+					|| (strcmp(comp, "atom_resolution") == 0 && (i = 11))
+					|| (strcmp(comp, "bond_resolution") == 0 && (i = 12))) {
 					mview_ibuf[i - 1] = atoi(valp);
+				} else if ((strcmp(comp, "atom_radius") == 0 && (i = 8))
+					|| (strcmp(comp, "bond_radius") == 0 && (i = 9))) {
+					mview_dbuf[i] = strtod(valp, NULL);
 				} else if (strcmp(comp, "show_periodic_image") == 0) {
 					sscanf(valp, "%d %d %d %d %d %d",
-						   &mview_ibuf[10], &mview_ibuf[11], &mview_ibuf[12],
-						   &mview_ibuf[13], &mview_ibuf[14], &mview_ibuf[15]);
+						   &mview_ibuf[12], &mview_ibuf[13], &mview_ibuf[14],
+						   &mview_ibuf[15], &mview_ibuf[16], &mview_ibuf[17]);
 				}
 			}
 			continue;
@@ -1654,17 +1659,25 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 			mp->mview->showPeriodicImageFlag = mview_ibuf[8];
 		if (mview_ibuf[9] != kUndefined)
 			mp->mview->showGraphite = mview_ibuf[9];
+		if (mview_ibuf[10] != kUndefined && mview_ibuf[10] >= 6)
+			mp->mview->atomResolution = mview_ibuf[10];
+		if (mview_ibuf[11] != kUndefined && mview_ibuf[11] >= 4)
+			mp->mview->bondResolution = mview_ibuf[11];
 		for (i = 0; i < 6; i++) {
-			if (mview_ibuf[10 + i] != kUndefined)
-				mp->mview->showPeriodicImage[i] = mview_ibuf[10 + i];
+			if (mview_ibuf[12 + i] != kUndefined)
+				mp->mview->showPeriodicImage[i] = mview_ibuf[12 + i];
 		}
+		if (mview_dbuf[8] != kUndefined)
+			mp->mview->atomRadius = mview_dbuf[8];
+		if (mview_dbuf[9] != kUndefined)
+			mp->mview->bondRadius = mview_dbuf[9];		
 		if (mp->mview->track != NULL) {
-			if (mview_fbuf[0] != kUndefined)
-				TrackballSetScale(mp->mview->track, mview_fbuf[0]);
-			if (mview_fbuf[1] != kUndefined)
-				TrackballSetTranslate(mp->mview->track, mview_fbuf + 1);
-			if (mview_fbuf[4] != kUndefined)
-				TrackballSetRotate(mp->mview->track, mview_fbuf + 4);
+			if (mview_dbuf[0] != kUndefined)
+				TrackballSetScale(mp->mview->track, mview_dbuf[0]);
+			if (mview_dbuf[1] != kUndefined)
+				TrackballSetTranslate(mp->mview->track, mview_dbuf + 1);
+			if (mview_dbuf[4] != kUndefined)
+				TrackballSetRotate(mp->mview->track, mview_dbuf + 4);
 		}
 	}
 
@@ -4136,7 +4149,7 @@ MoleculeWriteToMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 	}
 	
 	if (mp->mview != NULL) {
-		float f[4];
+		double f[4];
 		if (mp->mview->track != NULL) {
 			fprintf(fp, "!:trackball\n");
 			fprintf(fp, "! scale; trx try trz; theta_deg x y z\n");
@@ -4163,6 +4176,14 @@ MoleculeWriteToMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 				mp->mview->showPeriodicImage[0], mp->mview->showPeriodicImage[1],
 				mp->mview->showPeriodicImage[2], mp->mview->showPeriodicImage[3],
 				mp->mview->showPeriodicImage[4], mp->mview->showPeriodicImage[5]);
+		if (mp->mview->atomRadius != 0.2)
+			fprintf(fp, "atom_radius %f\n", mp->mview->atomRadius);
+		if (mp->mview->bondRadius != 0.1)
+			fprintf(fp, "bond_radius %f\n", mp->mview->bondRadius);
+		if (mp->mview->atomResolution != 12)
+			fprintf(fp, "atom_resolution %d\n", mp->mview->atomResolution);
+		if (mp->mview->bondResolution != 8)
+			fprintf(fp, "bond_resolution %d\n", mp->mview->bondResolution);
 		fprintf(fp, "\n");
 	}
 
diff --git a/MolLib/Ruby_bind/ruby_bind.c b/MolLib/Ruby_bind/ruby_bind.c
index 32c6016..ea5caf4 100644
--- a/MolLib/Ruby_bind/ruby_bind.c
+++ b/MolLib/Ruby_bind/ruby_bind.c
@@ -9301,6 +9301,113 @@ s_Molecule_LineMode(int argc, VALUE *argv, VALUE self)
 
 /*
  *  call-seq:
+ *     atom_radius = float
+ *     atom_radius
+ *
+ *  Set the atom radius (multiple of the vdw radius) used in drawing the model in normal (non-line) mode.
+ *  (Default = 0.4)
+ *  If no argument is given, the current value is returned.
+ */
+static VALUE
+s_Molecule_AtomRadius(int argc, VALUE *argv, VALUE self)
+{
+    Molecule *mol;
+    Data_Get_Struct(self, Molecule, mol);
+	if (mol->mview == NULL)
+		return Qnil;
+	if (argc > 0) {
+		double rad = NUM2DBL(rb_Float(argv[0]));
+		if (rad > 0.0) {
+			mol->mview->atomRadius = rad;
+			MainViewCallback_setNeedsDisplay(mol->mview, 1);
+		}
+		return argv[0];
+	}
+	return rb_float_new(mol->mview->atomRadius);
+}
+
+/*
+ *  call-seq:
+ *     bond_radius = float
+ *     bond_radius
+ *
+ *  Set the bond radius (in angstrom) used in drawing the model in normal (non-line) mode. (Default = 0.1)
+ *  If no argument is given, the current value is returned.
+ */
+static VALUE
+s_Molecule_BondRadius(int argc, VALUE *argv, VALUE self)
+{
+    Molecule *mol;
+    Data_Get_Struct(self, Molecule, mol);
+	if (mol->mview == NULL)
+		return Qnil;
+	if (argc > 0) {
+		double rad = NUM2DBL(rb_Float(argv[0]));
+		if (rad > 0.0) {
+			mol->mview->bondRadius = rad;
+			MainViewCallback_setNeedsDisplay(mol->mview, 1);
+		}
+		return argv[0];
+	}
+	return rb_float_new(mol->mview->bondRadius);
+}
+
+/*
+ *  call-seq:
+ *     atom_resolution = integer
+ *     atom_resolution
+ *
+ *  Set the atom resolution used in drawing the model in normal (non-line) mode.
+ *  (Default = 12; minimum = 6)
+ *  If no argument is given, the current value is returned.
+ */
+static VALUE
+s_Molecule_AtomResolution(int argc, VALUE *argv, VALUE self)
+{
+    Molecule *mol;
+    Data_Get_Struct(self, Molecule, mol);
+	if (mol->mview == NULL)
+		return Qnil;
+	if (argc > 0) {
+		int res = NUM2INT(rb_Integer(argv[0]));
+		if (res < 6)
+			rb_raise(rb_eRangeError, "The atom resolution (%d) less than 6 is not acceptable", res);
+		mol->mview->atomResolution = res;
+		MainViewCallback_setNeedsDisplay(mol->mview, 1);
+		return INT2NUM(res);
+	}
+	return INT2NUM(mol->mview->atomResolution);
+}
+
+/*
+ *  call-seq:
+ *     bond_resolution = integer
+ *     bond_resolution
+ *
+ *  Set the bond resolution used in drawing the model in normal (non-line) mode.
+ *  (Default = 8; minimum = 4)
+ *  If no argument is given, the current value is returned.
+ */
+static VALUE
+s_Molecule_BondResolution(int argc, VALUE *argv, VALUE self)
+{
+    Molecule *mol;
+    Data_Get_Struct(self, Molecule, mol);
+	if (mol->mview == NULL)
+		return Qnil;
+	if (argc > 0) {
+		int res = NUM2INT(rb_Integer(argv[0]));
+		if (res < 4)
+			rb_raise(rb_eRangeError, "The bond resolution (%d) less than 4 is not acceptable", res);
+		mol->mview->bondResolution = res;
+		MainViewCallback_setNeedsDisplay(mol->mview, 1);
+		return INT2NUM(res);
+	}
+	return INT2NUM(mol->mview->bondResolution);
+}
+
+/*
+ *  call-seq:
  *     resize_to_fit
  *
  *  Resize the model drawing to fit in the window.
@@ -9325,7 +9432,7 @@ static VALUE
 s_Molecule_GetViewRotation(VALUE self)
 {
     Molecule *mol;
-	float f[4];
+	double f[4];
 	Vector v;
     Data_Get_Struct(self, Molecule, mol);
 	if (mol->mview == NULL)
@@ -9364,7 +9471,7 @@ static VALUE
 s_Molecule_GetViewCenter(VALUE self)
 {
     Molecule *mol;
-	float f[4];
+	double f[4];
 	Vector v;
     Data_Get_Struct(self, Molecule, mol);
 	if (mol->mview == NULL)
@@ -9386,7 +9493,7 @@ static VALUE
 s_Molecule_SetViewRotation(VALUE self, VALUE aval, VALUE angval)
 {
     Molecule *mol;
-	float f[4];
+	double f[4];
 	Vector v;
     Data_Get_Struct(self, Molecule, mol);
 	if (mol->mview == NULL)
@@ -9432,7 +9539,7 @@ s_Molecule_SetViewCenter(VALUE self, VALUE aval)
 {
     Molecule *mol;
 	Vector v;
-	float f[4];
+	double f[4];
     Data_Get_Struct(self, Molecule, mol);
 	if (mol->mview == NULL)
 		return Qnil;
@@ -10748,6 +10855,14 @@ Init_Molby(void)
 	rb_define_alias(rb_cMolecule, "show_rotation_center=", "show_rotation_center");
 	rb_define_method(rb_cMolecule, "line_mode", s_Molecule_LineMode, -1);
 	rb_define_alias(rb_cMolecule, "line_mode=", "line_mode");
+	rb_define_method(rb_cMolecule, "atom_radius", s_Molecule_AtomRadius, -1);
+	rb_define_alias(rb_cMolecule, "atom_radius=", "atom_radius");
+	rb_define_method(rb_cMolecule, "bond_radius", s_Molecule_BondRadius, -1);
+	rb_define_alias(rb_cMolecule, "bond_radius=", "bond_radius");
+	rb_define_method(rb_cMolecule, "atom_resolution", s_Molecule_AtomResolution, -1);
+	rb_define_alias(rb_cMolecule, "atom_resolution=", "atom_resolution");
+	rb_define_method(rb_cMolecule, "bond_resolution", s_Molecule_BondResolution, -1);
+	rb_define_alias(rb_cMolecule, "bond_resolution=", "bond_resolution");
 	rb_define_method(rb_cMolecule, "resize_to_fit", s_Molecule_ResizeToFit, 0);
 #if 1 || !defined(__CMDMAC__)
 	rb_define_method(rb_cMolecule, "get_view_rotation", s_Molecule_GetViewRotation, 0);
diff --git a/MolLib/Trackball.c b/MolLib/Trackball.c
index ca08f55..b5785ab 100644
--- a/MolLib/Trackball.c
+++ b/MolLib/Trackball.c
@@ -21,7 +21,7 @@
 #pragma mark ====== Internal functions ======
 
 static void
-multiplyQuat(const float *a, const float *b, float *c)
+multiplyQuat(const double *a, const double *b, double *c)
 {
     c[0] = a[0] * b[0] - (a[1] * b[1] + a[2] * b[2] + a[3] * b[3]);
     c[1] = b[0] * a[1] + a[0] * b[1] + (a[2] * b[3] - a[3] * b[2]);
@@ -30,7 +30,7 @@ multiplyQuat(const float *a, const float *b, float *c)
 }
 
 static void
-normalizeQuat(float *a)
+normalizeQuat(double *a)
 {
     float f;
     f = 1.0 / sqrt(a[0] * a[0] + a[1] * a[1] + a[2] * a[2] + a[3] * a[3]);
@@ -41,7 +41,7 @@ normalizeQuat(float *a)
 }
 
 static void
-getRotationToCenter(float x, float y, float radius, float *quat)
+getRotationToCenter(double x, double y, double radius, double *quat)
 {
     const float sqrt2 = 1.41421356 / 2;
     float r, r2;
@@ -76,7 +76,7 @@ getRotationToCenter(float x, float y, float radius, float *quat)
 }
 
 static void
-rotation2Quat(const float *A, float *q)
+rotation2Quat(const double *A, double *q)
 {
     float ang2;  /* The half-angle */
     float sinAng2; /* sin(half-angle) */
@@ -125,11 +125,10 @@ TrackballGetScale(const Trackball *track)
 }
 
 /*  Get the current rotation (in GL format)  */
-//- (void)getRotate:(float *)a
 void
-TrackballGetRotate(const Trackball *track, float *a)
+TrackballGetRotate(const Trackball *track, double *a)
 {
-    float w[4], t, f;
+    double w[4], t, f;
 	NULL_CHECK(track, "TrackballGetRotate");	
     /*  Rotate: multiply the two quaternions and convert it to a GL rotater  */
     multiplyQuat(track->tempQuat, track->quat, w);
@@ -154,30 +153,21 @@ TrackballGetRotate(const Trackball *track, float *a)
 /*  Get the current translation.  The result values should be multiplied with
  * the dimension of the model.  */
 void
-TrackballGetTranslate(const Trackball *track, float *a)
-//- (void)getTranslate:(float *)a
+TrackballGetTranslate(const Trackball *track, double *a)
 {
 	NULL_CHECK(track, "TrackballGetTranslate");
     a[0] = track->tempTrans[0] + track->trans[0];
     a[1] = track->tempTrans[1] + track->trans[1];
     a[2] = track->tempTrans[2] + track->trans[2];
-/*    f = a[0] * a[0] + a[1] * a[1] + a[2] * a[2];
-    if (f > 1.0) {
-        f = 1.0 / sqrt(f);
-        a[0] *= f;
-        a[1] *= f;
-        a[2] *= f;
-    } */
 }
 
 /*  Get the perspective parameter (fovy and distance)
  *  Fovy (a[0]) is in degree.
  *  Distance (a[1]) should be multiplied with the dimension of the model. */
 void
-TrackballGetPerspective(const Trackball *track, float *a)
-//- (void)getPerspective:(float *)a
+TrackballGetPerspective(const Trackball *track, double *a)
 {
-    float f;
+    double f;
 	NULL_CHECK(track, "TrackballGetPerspective");
     /*  Get the current scale factor (-1.0 to 1.0 for x1/10 to x10)  */
     f = track->tempScale + track->scale;
@@ -217,7 +207,7 @@ TrackballReset(Trackball *track)
 }
 
 void
-TrackballSetScale(Trackball *track, float scale)
+TrackballSetScale(Trackball *track, double scale)
 {
 	NULL_CHECK(track, "TrackballSetScale");
 	track->tempScale = 0;
@@ -226,9 +216,9 @@ TrackballSetScale(Trackball *track, float scale)
 }
 
 void
-TrackballSetRotate(Trackball *track, const float *a)
+TrackballSetRotate(Trackball *track, const double *a)
 {
-	float k; 
+	double k; 
 	NULL_CHECK(track, "TrackballSetRotate");
 	track->tempQuat[0] = 1.0;
 	track->tempQuat[1] = track->tempQuat[2] = track->tempQuat[3] = 0.0;
@@ -241,7 +231,7 @@ TrackballSetRotate(Trackball *track, const float *a)
 }
 
 void
-TrackballSetTranslate(Trackball *track, const float *a)
+TrackballSetTranslate(Trackball *track, const double *a)
 {
 	NULL_CHECK(track, "TrackballSetTranslate");
 	track->tempTrans[0] = track->tempTrans[1] = track->tempTrans[2] = 0;
@@ -255,7 +245,6 @@ TrackballSetTranslate(Trackball *track, const float *a)
 
 void
 TrackballStartDragging(Trackball *track, const float *mousePos, TrackballMode mode)
-//- (void)startAt:(NSPoint)pt sender:(NSView *)sender mode:(int)inMode
 {
 	NULL_CHECK(track, "TrackballStartDragging");
     
@@ -275,18 +264,17 @@ TrackballStartDragging(Trackball *track, const float *mousePos, TrackballMode mo
 }
 
 void
-TrackballSetTemporaryRotation(Trackball *track, const float *q)
+TrackballSetTemporaryRotation(Trackball *track, const double *q)
 {
-	memmove(track->tempQuat, q, sizeof(float) * 4);
+	memmove(track->tempQuat, q, sizeof(double) * 4);
 }
 
 void
 TrackballDrag(Trackball *track, const float *mousePos)
-//- (void)dragTo:(NSPoint)pt sender:(NSView *)sender
 {
-    float rot[4];
-    float w1[4], w2[4];
-    float w;
+    double rot[4];
+    double w1[4], w2[4];
+    double w;
 	NULL_CHECK(track, "TrackballDrag");
 
     if (track->mode == kTrackballRotateMode) {
@@ -334,9 +322,8 @@ TrackballDrag(Trackball *track, const float *mousePos)
 
 void
 TrackballEndDragging(Trackball *track, const float *mousePos)
-//- (void)endAt:(NSPoint)pt sender:(NSView *)sender
 {
-    float w[4];
+    double w[4];
 	NULL_CHECK(track, "TrackballEndDragging");
 	if (mousePos != NULL)
 		TrackballDrag(track, mousePos);
@@ -351,13 +338,6 @@ TrackballEndDragging(Trackball *track, const float *mousePos)
     track->trans[0] += track->tempTrans[0];
     track->trans[1] += track->tempTrans[1];
     track->trans[2] += track->tempTrans[2];
-/*    f = track->trans[0] * track->trans[0] + track->trans[1] * track->trans[1] + track->trans[2] * track->trans[2];
-    if (f > 1.0) {
-        f = 1.0 / sqrt(f);
-        track->trans[0] *= f;
-        track->trans[1] *= f;
-        track->trans[2] *= f;
-    } */
     track->tempTrans[0] = track->tempTrans[1] = track->tempTrans[2] = 0.0;
     track->scale += track->tempScale;
     if (track->scale > 5.0)
diff --git a/MolLib/Trackball.h b/MolLib/Trackball.h
index adbf01e..b716da8 100644
--- a/MolLib/Trackball.h
+++ b/MolLib/Trackball.h
@@ -52,16 +52,16 @@ typedef enum TrackballMode {
  *  view is (0, 0), and the half of the screen height (or width) is 1.0)  */
 typedef struct Trackball {
 	int refCount;
-    float start[2];     /*  Drag started here  */
-    float startQuat[4];	/*  Rotation from the start point to the center (of the trackball) */
+    double start[2];     /*  Drag started here  */
+    double startQuat[4];	/*  Rotation from the start point to the center (of the trackball) */
     TrackballMode   mode;
 
-    float quat[4];		/*  Rotation (in quaternion)  */
-    float tempQuat[4];	/*  Temporary rotation during dragging of trackball  */
-    float trans[3];		/*  Translation  */
-    float tempTrans[3];	/*  Temporary translation  */
-    float scale;		/*  Scale  */
-    float tempScale;	/*  Temporary scale */
+    double quat[4];		/*  Rotation (in quaternion)  */
+    double tempQuat[4];	/*  Temporary rotation during dragging of trackball  */
+    double trans[3];		/*  Translation  */
+    double tempTrans[3];	/*  Temporary translation  */
+    double scale;		/*  Scale  */
+    double tempScale;	/*  Temporary scale */
 	
 	int   modifyCount;
 } Trackball;
@@ -71,19 +71,19 @@ void TrackballRetain(Trackball *track);
 void TrackballRelease(Trackball *track);
 
 float TrackballGetScale(const Trackball *track);
-void TrackballGetRotate(const Trackball *track, float *a);
-void TrackballGetTranslate(const Trackball *track, float *a);
-void TrackballGetPerspective(const Trackball *track, float *a);
+void TrackballGetRotate(const Trackball *track, double *a);
+void TrackballGetTranslate(const Trackball *track, double *a);
+void TrackballGetPerspective(const Trackball *track, double *a);
 
 void TrackballReset(Trackball *track);
-void TrackballSetScale(Trackball *track, float scale);
-void TrackballSetRotate(Trackball *track, const float *a);
-void TrackballSetTranslate(Trackball *track, const float *a);
+void TrackballSetScale(Trackball *track, double scale);
+void TrackballSetRotate(Trackball *track, const double *a);
+void TrackballSetTranslate(Trackball *track, const double *a);
 
 int  TrackballGetModifyCount(Trackball *track);
 
 void TrackballStartDragging(Trackball *track, const float *mousePos, TrackballMode mode);
-void TrackballSetTemporaryRotation(Trackball *track, const float *q);
+void TrackballSetTemporaryRotation(Trackball *track, const double *q);
 void TrackballDrag(Trackball *track, const float *mousePos);
 void TrackballEndDragging(Trackball *track, const float *mousePos);
 
diff --git a/Scripts/view.rb b/Scripts/view.rb
index 700b46f..63cc920 100755
--- a/Scripts/view.rb
+++ b/Scripts/view.rb
@@ -39,10 +39,6 @@ def cmd_show_rotation_center
   self.show_rotation_center = !self.show_rotation_center
 end
 
-def cmd_line_mode
-  self.line_mode = !self.line_mode
-end
-
 def cmd_show_graphite
   n = self.show_graphite
   flag = self.show_graphite?
@@ -58,7 +54,71 @@ def cmd_show_graphite
 	self.show_graphite(hash["show_graphite"] == 1 ? true : false)
   end
 end
-  
+
+def cmd_line_mode
+  self.line_mode = !self.line_mode
+end
+
+def cmd_ball_and_stick_mode
+  mol = self
+  rad = mol.atom_radius
+  res = mol.atom_resolution
+  brad = mol.bond_radius
+  bres = mol.bond_resolution
+  if mol.line_mode == true || mol.atom_radius >= 0.5
+    rad = 0.2
+	res = 12
+	brad = 0.1
+	bres = 8
+  end
+  hash = Dialog.run("Ball and Stick") {
+    layout(2,
+	  item(:text, :title=>"Atom Radius (0..0.5, default 0.2)"),
+	  item(:textfield, :width=>100, :tag=>"atom_radius", :value=>rad.to_s),
+	  item(:text, :title=>"Atom Resolution (default 12)"),
+	  item(:textfield, :width=>100, :tag=>"atom_resolution", :value=>res.to_s),
+	  item(:text, :title=>"Bond Radius (default 0.1)"),
+	  item(:textfield, :width=>100, :tag=>"bond_radius", :value=>brad.to_s),
+	  item(:text, :title=>"Atom Resolution (default 8)"),
+	  item(:textfield, :width=>100, :tag=>"bond_resolution", :value=>bres.to_s))
+  }
+  if hash[:status] == 0
+    f = hash["atom_radius"].to_f
+	self.atom_radius = f if f > 0.0 && f < 0.5
+    n = hash["atom_resolution"].to_i
+	self.atom_resolution = n if n >= 6 && n < 100
+    f = hash["bond_radius"].to_f
+	self.bond_radius = f if f > 0.0
+    n = hash["bond_resolution"].to_i
+	self.bond_resolution = n if n >= 4 && n < 100
+	self.line_mode = false
+  end
+end
+
+def cmd_space_filling_mode
+  mol = self
+  rad = mol.atom_radius
+  res = mol.atom_resolution
+  if mol.line_mode == true || mol.atom_radius < 0.5
+    rad = 1.0
+	res = 18
+  end
+  hash = Dialog.run("Space Filling") {
+    layout(2,
+	  item(:text, :title=>"Atom Radius (0.5..2.0, default 1.0)"),
+	  item(:textfield, :width=>100, :tag=>"atom_radius", :value=>rad.to_s),
+	  item(:text, :title=>"Atom Resolution (default 18)"),
+	  item(:textfield, :width=>100, :tag=>"atom_resolution", :value=>res.to_s))
+  }
+  if hash[:status] == 0
+    f = hash["atom_radius"].to_f
+	self.atom_radius = f if f >= 0.5 && f <= 2.0
+    n = hash["atom_resolution"].to_i
+	self.atom_resolution = n if n >= 6 && n < 100
+	self.line_mode = false
+  end
+end
+
 end
 
 register_menu("View\t-", nil)
@@ -78,5 +138,9 @@ register_menu("View\t-", nil)
 register_menu("View\t^Show Graphite...", :cmd_show_graphite,
   lambda { |m| [m != nil, m.show_graphite?] } )
 register_menu("View\t-", nil)
-register_menu("View\t^Line Mode", :cmd_line_mode,
+register_menu("View\tAppearance\t^Line", :cmd_line_mode,
   lambda { |m| [m != nil, m.line_mode] } )
+register_menu("View\tAppearance\t^Ball and Stick", :cmd_ball_and_stick_mode,
+  lambda { |m| [m != nil, !m.line_mode && m.atom_radius < 0.5] } )
+register_menu("View\tAppearance\t^Space Filling", :cmd_space_filling_mode,
+  lambda { |m| [m != nil, !m.line_mode && m.atom_radius >= 0.5] } )
diff --git a/wxSources/MyApp.cpp b/wxSources/MyApp.cpp
index 31a9524..dcb6dff 100755
--- a/wxSources/MyApp.cpp
+++ b/wxSources/MyApp.cpp
@@ -807,7 +807,7 @@ MyApp::UpdateScriptMenu(wxMenuBar *mbar)
 					menu->Append(myMenuID_CustomScript + i + depth * 1000, menuTitle, newMenu1);
 					menu = newMenu1;
 				} else {
-					menu->FindItem(mid, &menu);
+					menu = menu->FindItem(mid)->GetSubMenu();
 				}
 			}
 			s = p + 1;
-- 
2.11.0