## jmol-users

 [Jmol-users] Question about rotation matrix From: Nikolay Bogdanov - 2012-03-19 11:02:49 ```Hi, I try to find out how to apply a rotation matrix to the model with jmol. I have a matrix to be applied to coordinates this way: matrix [[a1,b1,c1],[a2,b2,c2],[a3,b3,c3]] xnew=a1*x+b1*y+c1*z, ynew=a2*x+b2*y+c2*z etc It looks like I need just to do \$ rotate selected @matrix. But it works for one matrix and doesn't with another (I've checked with manually multiplied coordinates). Then I decided to check how does jmol rotate coordinates with matrix and found that in one case transformation equal to matrix, and in other not. The same, as for my models. Is it a bug, or a feature, and how can I get rotation for the second matrix? \$ show transform transform: [ [1.0 0.0 0.0] [0.0 1.0 0.0] [0.0 0.0 1.0] ] \$ show rot rot = [ [0.0444209 -0.23927301 0.969936] [0.0448276 -0.969439 -0.24120401] [0.998007 0.0541943 -0.0323373] ] \$ rotate @rot \$ show transform transform: [ [0.044420823 -0.23927324 0.9699356] [0.044827897 -0.9694386 -0.24120365] [0.99800664 0.05419464 -0.032337148] ] ... rotate back \$ show transform transform: [ [1.0 0.0 0.0] [0.0 1.0 0.0] [0.0 0.0 1.0] ] \$ show rot2 rot2 = [ [-0.430167 -0.38484102 0.816611] [0.693676 -0.719811 0.0261867] [-0.57772803 -0.57772905 -0.57659] ] \$ rotate @rot2 \$ show transform transform: [ [0.9202282 0.35561728 0.16345158] [0.2475827 -0.85237557 0.46060684] [0.3031219 -0.3833956 -0.8724247] ] Thanks, Nick ```
 Re: [Jmol-users] Question about rotation matrix From: Robert Hanson - 2012-03-19 13:55:25 Attachments: Message as HTML ```Your rot2 matrix is a left-handed axis system, not a right-handed one. That matrix has a determinant of -1, not 1. Jmol is considering your left-handed matrix [-0.430167 -0.38484102 0.816611] [0.693676 -0.719811 0.0261867] [-0.57772803 -0.57772905 -0.57659] ] and the proper rotation [0.92022824 0.35561728 0.16345158] [0.24758267 -0.8523756 0.46060687] [0.3031219 -0.38339567 -0.8724247] ] to be identical rotations. On Mon, Mar 19, 2012 at 6:02 AM, Nikolay Bogdanov wrote: > Hi, > > I try to find out how to apply a rotation matrix to the model with jmol. I > have a matrix to be applied to coordinates this way: > matrix [[a1,b1,c1],[a2,b2,c2],[a3,b3,c3]] > xnew=a1*x+b1*y+c1*z, ynew=a2*x+b2*y+c2*z etc > > It looks like I need just to do \$ rotate selected @matrix. But it works > for one matrix and doesn't with another (I've checked with manually > multiplied > coordinates). Then I decided to check how does jmol rotate coordinates > with matrix and found that in one case transformation equal to matrix, and > in > other not. The same, as for my models. > > Is it a bug, or a feature, and how can I get rotation for the second > matrix? > > > \$ show transform > transform: > [ > [1.0 0.0 0.0] > [0.0 1.0 0.0] > [0.0 0.0 1.0] ] > \$ show rot > rot = [ > [0.0444209 -0.23927301 0.969936] > [0.0448276 -0.969439 -0.24120401] > [0.998007 0.0541943 -0.0323373] ] > \$ rotate @rot > \$ show transform > transform: > [ > [0.044420823 -0.23927324 0.9699356] > [0.044827897 -0.9694386 -0.24120365] > [0.99800664 0.05419464 -0.032337148] ] > > ... rotate back > > \$ show transform > transform: > [ > [1.0 0.0 0.0] > [0.0 1.0 0.0] > [0.0 0.0 1.0] ] > \$ show rot2 > rot2 = [ > [-0.430167 -0.38484102 0.816611] > [0.693676 -0.719811 0.0261867] > [-0.57772803 -0.57772905 -0.57659] ] > \$ rotate @rot2 > \$ show transform > transform: > [ > [0.9202282 0.35561728 0.16345158] > [0.2475827 -0.85237557 0.46060684] > [0.3031219 -0.3833956 -0.8724247] ] > > Thanks, Nick > > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > _______________________________________________ > Jmol-users mailing list > Jmol-users@... > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ```
 Re: [Jmol-users] Question about rotation matrix From: Nikolay Bogdanov - 2012-03-19 15:18:56 ```But they are not identical: Point (1.0, 1.0, 1.0) goes into (0.0016, 0.0000, -1.7320) with my left-handed matrix, and to (1.4393, -0.1442, -0.9527) with Jmol's rotation. If I multiply the rotation matrix with (-1) and thus make it right-handed. This is fine for me now, because I need only axes orientation, but not the direction. However, it could be something wrong with the switching to right-handed rotation algorithm. Thanks, Nick On 03/19/12 14:55, Robert Hanson wrote: > Your rot2 matrix is a left-handed axis system, not a right-handed one. > That matrix has a determinant of -1, not 1. > > Jmol is considering your left-handed matrix > > [-0.430167 -0.38484102 0.816611] > [0.693676 -0.719811 0.0261867] > [-0.57772803 -0.57772905 -0.57659] ] > > and the proper rotation > > [0.92022824 0.35561728 0.16345158] > [0.24758267 -0.8523756 0.46060687] > [0.3031219 -0.38339567 -0.8724247] ] > > to be identical rotations. > > > > On Mon, Mar 19, 2012 at 6:02 AM, Nikolay Bogdanov > > wrote: > > Hi, > > I try to find out how to apply a rotation matrix to the model with > jmol. I have a matrix to be applied to coordinates this way: > matrix [[a1,b1,c1],[a2,b2,c2],[a3,b3,c3]] > xnew=a1*x+b1*y+c1*z, ynew=a2*x+b2*y+c2*z etc > > It looks like I need just to do \$ rotate selected @matrix. But it > works for one matrix and doesn't with another (I've checked with > manually multiplied > coordinates). Then I decided to check how does jmol rotate > coordinates with matrix and found that in one case transformation > equal to matrix, and in > other not. The same, as for my models. > > Is it a bug, or a feature, and how can I get rotation for the second > matrix? > > > \$ show transform > transform: > [ > [1.0 0.0 0.0] > [0.0 1.0 0.0] > [0.0 0.0 1.0] ] > \$ show rot > rot = [ > [0.0444209 -0.23927301 0.969936] > [0.0448276 -0.969439 -0.24120401] > [0.998007 0.0541943 -0.0323373] ] > \$ rotate @rot > \$ show transform > transform: > [ > [0.044420823 -0.23927324 0.9699356] > [0.044827897 -0.9694386 -0.24120365] > [0.99800664 0.05419464 -0.032337148] ] > > ... rotate back > > \$ show transform > transform: > [ > [1.0 0.0 0.0] > [0.0 1.0 0.0] > [0.0 0.0 1.0] ] > \$ show rot2 > rot2 = [ > [-0.430167 -0.38484102 0.816611] > [0.693676 -0.719811 0.0261867] > [-0.57772803 -0.57772905 -0.57659] ] > \$ rotate @rot2 > \$ show transform > transform: > [ > [0.9202282 0.35561728 0.16345158] > [0.2475827 -0.85237557 0.46060684] > [0.3031219 -0.3833956 -0.8724247] ] > > Thanks, Nick > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > _______________________________________________ > Jmol-users mailing list > Jmol-users@... > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > > > > _______________________________________________ > Jmol-users mailing list > Jmol-users@... > https://lists.sourceforge.net/lists/listinfo/jmol-users ```
 Re: [Jmol-users] Question about rotation matrix From: Robert Hanson - 2012-03-19 19:53:41 Attachments: Message as HTML ```Well, it's not a valid matrix for rotation. What you have right now in rot2 is an improper rotation -- a rotation/reflection. As interesting as that might be, it's not a rotation, doesn't correspond to a quaternion (which is what Jmol turns that matrix into), and therefore shouldn't be used with the ROTATION command. If you want to invert the atom positions, use the INVERTSELECTED command. On Mon, Mar 19, 2012 at 10:18 AM, Nikolay Bogdanov wrote: > But they are not identical: > Point (1.0, 1.0, 1.0) goes into (0.0016, 0.0000, -1.7320) with my > left-handed matrix, and to (1.4393, -0.1442, -0.9527) with Jmol's rotation. > > If I multiply the rotation matrix with (-1) and thus make it right-handed. > This is fine for me now, because I need only axes orientation, but not the > direction. > > However, it could be something wrong with the switching to right-handed > rotation algorithm. > > Thanks, Nick > > On 03/19/12 14:55, Robert Hanson wrote: > > Your rot2 matrix is a left-handed axis system, not a right-handed one. > > That matrix has a determinant of -1, not 1. > > > > Jmol is considering your left-handed matrix > > > > [-0.430167 -0.38484102 0.816611] > > [0.693676 -0.719811 0.0261867] > > [-0.57772803 -0.57772905 -0.57659] ] > > > > and the proper rotation > > > > [0.92022824 0.35561728 0.16345158] > > [0.24758267 -0.8523756 0.46060687] > > [0.3031219 -0.38339567 -0.8724247] ] > > > > to be identical rotations. > > > > > > > > On Mon, Mar 19, 2012 at 6:02 AM, Nikolay Bogdanov > > > wrote: > > > > Hi, > > > > I try to find out how to apply a rotation matrix to the model with > > jmol. I have a matrix to be applied to coordinates this way: > > matrix [[a1,b1,c1],[a2,b2,c2],[a3,b3,c3]] > > xnew=a1*x+b1*y+c1*z, ynew=a2*x+b2*y+c2*z etc > > > > It looks like I need just to do \$ rotate selected @matrix. But it > > works for one matrix and doesn't with another (I've checked with > > manually multiplied > > coordinates). Then I decided to check how does jmol rotate > > coordinates with matrix and found that in one case transformation > > equal to matrix, and in > > other not. The same, as for my models. > > > > Is it a bug, or a feature, and how can I get rotation for the second > > matrix? > > > > > > \$ show transform > > transform: > > [ > > [1.0 0.0 0.0] > > [0.0 1.0 0.0] > > [0.0 0.0 1.0] ] > > \$ show rot > > rot = [ > > [0.0444209 -0.23927301 0.969936] > > [0.0448276 -0.969439 -0.24120401] > > [0.998007 0.0541943 -0.0323373] ] > > \$ rotate @rot > > \$ show transform > > transform: > > [ > > [0.044420823 -0.23927324 0.9699356] > > [0.044827897 -0.9694386 -0.24120365] > > [0.99800664 0.05419464 -0.032337148] ] > > > > ... rotate back > > > > \$ show transform > > transform: > > [ > > [1.0 0.0 0.0] > > [0.0 1.0 0.0] > > [0.0 0.0 1.0] ] > > \$ show rot2 > > rot2 = [ > > [-0.430167 -0.38484102 0.816611] > > [0.693676 -0.719811 0.0261867] > > [-0.57772803 -0.57772905 -0.57659] ] > > \$ rotate @rot2 > > \$ show transform > > transform: > > [ > > [0.9202282 0.35561728 0.16345158] > > [0.2475827 -0.85237557 0.46060684] > > [0.3031219 -0.3833956 -0.8724247] ] > > > > Thanks, Nick > > > > > ------------------------------------------------------------------------------ > > This SF email is sponsosred by: > > Try Windows Azure free for 90 days Click Here > > http://p.sf.net/sfu/sfd2d-msazure > > _______________________________________________ > > Jmol-users mailing list > > Jmol-users@... > > > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > > > > > > -- > > Robert M. Hanson > > Professor of Chemistry > > St. Olaf College > > 1520 St. Olaf Ave. > > Northfield, MN 55057 > > http://www.stolaf.edu/people/hansonr > > phone: 507-786-3107 > > > > > > If nature does not answer first what we want, > > it is better to take what answer we get. > > > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > > > > > > ------------------------------------------------------------------------------ > > This SF email is sponsosred by: > > Try Windows Azure free for 90 days Click Here > > http://p.sf.net/sfu/sfd2d-msazure > > > > > > > > _______________________________________________ > > Jmol-users mailing list > > Jmol-users@... > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > _______________________________________________ > Jmol-users mailing list > Jmol-users@... > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ```
 Re: [Jmol-users] Question about rotation matrix From: Nikolay Bogdanov - 2012-03-21 11:30:30 ```Thanks! Thus I do a proper rotation (which is my matrix multiplied by (-1) ) and then INVERTSELECTED, and that gives me what I want. Shouldn't this be a default action for the left-handed matrix rotation? Because now Jmol does something strange when one tries to apply a rotation/reflection matrix as rotation. It just rotate with some other matrix and does not say anything. In principle it could imply mistakes, if someone will just trust Jmol and do not check is the matrix right- or left-handed... Nick On 03/19/12 20:48, Robert Hanson wrote: > Well, it's not a valid matrix for rotation. What you have right now in > rot2 is an improper rotation -- a rotation/reflection. As interesting as > that might be, it's not a rotation, doesn't correspond to a quaternion > (which is what Jmol turns that matrix into), and therefore shouldn't be > used with the ROTATION command. If you want to invert the atom > positions, use the INVERTSELECTED command. > > > On Mon, Mar 19, 2012 at 10:18 AM, Nikolay Bogdanov > > wrote: > > But they are not identical: > Point (1.0, 1.0, 1.0) goes into (0.0016, 0.0000, -1.7320) with my > left-handed matrix, and to (1.4393, -0.1442, -0.9527) with Jmol's > rotation. > > If I multiply the rotation matrix with (-1) and thus make it > right-handed. This is fine for me now, because I need only axes > orientation, but not the > direction. > > However, it could be something wrong with the switching to > right-handed rotation algorithm. > > Thanks, Nick > > On 03/19/12 14:55, Robert Hanson wrote: > > Your rot2 matrix is a left-handed axis system, not a right-handed > one. > > That matrix has a determinant of -1, not 1. > > > > Jmol is considering your left-handed matrix > > > > [-0.430167 -0.38484102 0.816611] > > [0.693676 -0.719811 0.0261867] > > [-0.57772803 -0.57772905 -0.57659] ] > > > > and the proper rotation > > > > [0.92022824 0.35561728 0.16345158] > > [0.24758267 -0.8523756 0.46060687] > > [0.3031219 -0.38339567 -0.8724247] ] > > > > to be identical rotations. > > > > > > > > On Mon, Mar 19, 2012 at 6:02 AM, Nikolay Bogdanov > > > >> > wrote: > > > > Hi, > > > > I try to find out how to apply a rotation matrix to the model > with > > jmol. I have a matrix to be applied to coordinates this way: > > matrix [[a1,b1,c1],[a2,b2,c2],[a3,b3,c3]] > > xnew=a1*x+b1*y+c1*z, ynew=a2*x+b2*y+c2*z etc > > > > It looks like I need just to do \$ rotate selected @matrix. But it > > works for one matrix and doesn't with another (I've checked with > > manually multiplied > > coordinates). Then I decided to check how does jmol rotate > > coordinates with matrix and found that in one case transformation > > equal to matrix, and in > > other not. The same, as for my models. > > > > Is it a bug, or a feature, and how can I get rotation for the > second > > matrix? > > > > > > \$ show transform > > transform: > > [ > > [1.0 0.0 0.0] > > [0.0 1.0 0.0] > > [0.0 0.0 1.0] ] > > \$ show rot > > rot = [ > > [0.0444209 -0.23927301 0.969936] > > [0.0448276 -0.969439 -0.24120401] > > [0.998007 0.0541943 -0.0323373] ] > > \$ rotate @rot > > \$ show transform > > transform: > > [ > > [0.044420823 -0.23927324 0.9699356] > > [0.044827897 -0.9694386 -0.24120365] > > [0.99800664 0.05419464 -0.032337148] ] > > > > ... rotate back > > > > \$ show transform > > transform: > > [ > > [1.0 0.0 0.0] > > [0.0 1.0 0.0] > > [0.0 0.0 1.0] ] > > \$ show rot2 > > rot2 = [ > > [-0.430167 -0.38484102 0.816611] > > [0.693676 -0.719811 0.0261867] > > [-0.57772803 -0.57772905 -0.57659] ] > > \$ rotate @rot2 > > \$ show transform > > transform: > > [ > > [0.9202282 0.35561728 0.16345158] > > [0.2475827 -0.85237557 0.46060684] > > [0.3031219 -0.3833956 -0.8724247] ] > > > > Thanks, Nick > > > > > ------------------------------------------------------------------------------ > > This SF email is sponsosred by: > > Try Windows Azure free for 90 days Click Here > > http://p.sf.net/sfu/sfd2d-msazure > > _______________________________________________ > > Jmol-users mailing list > > Jmol-users@... > > > > > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > > > > > > -- > > Robert M. Hanson > > Professor of Chemistry > > St. Olaf College > > 1520 St. Olaf Ave. > > Northfield, MN 55057 > > http://www.stolaf.edu/people/hansonr > > phone: 507-786-3107 > > > > > > If nature does not answer first what we want, > > it is better to take what answer we get. > > > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > > > > > > ------------------------------------------------------------------------------ > > This SF email is sponsosred by: > > Try Windows Azure free for 90 days Click Here > > http://p.sf.net/sfu/sfd2d-msazure > > > > > > > > _______________________________________________ > > Jmol-users mailing list > > Jmol-users@... > > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > _______________________________________________ > Jmol-users mailing list > Jmol-users@... > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > > > > _______________________________________________ > Jmol-users mailing list > Jmol-users@... > https://lists.sourceforge.net/lists/listinfo/jmol-users ```
 Re: [Jmol-users] Question about rotation matrix From: Robert Hanson - 2012-03-21 18:29:57 Attachments: Message as HTML ```Well, that's an idea, anyway. How common do you think it is to have the actual matrix and not other information? On Wed, Mar 21, 2012 at 6:30 AM, Nikolay Bogdanov wrote: > Thanks! Thus I do a proper rotation (which is my matrix multiplied by (-1) > ) and then INVERTSELECTED, and that gives me what I want. > > Shouldn't this be a default action for the left-handed matrix rotation? > Because now Jmol does something strange when one tries to apply a > rotation/reflection matrix as rotation. It just rotate with some other > matrix and does not say anything. In principle it could imply mistakes, if > someone will just trust Jmol and do not check is the matrix right- or > left-handed... > > Nick > > On 03/19/12 20:48, Robert Hanson wrote: > > Well, it's not a valid matrix for rotation. What you have right now in > > rot2 is an improper rotation -- a rotation/reflection. As interesting as > > that might be, it's not a rotation, doesn't correspond to a quaternion > > (which is what Jmol turns that matrix into), and therefore shouldn't be > > used with the ROTATION command. If you want to invert the atom > > positions, use the INVERTSELECTED command. > > > > > > On Mon, Mar 19, 2012 at 10:18 AM, Nikolay Bogdanov > > > wrote: > > > > But they are not identical: > > Point (1.0, 1.0, 1.0) goes into (0.0016, 0.0000, -1.7320) with my > > left-handed matrix, and to (1.4393, -0.1442, -0.9527) with Jmol's > > rotation. > > > > If I multiply the rotation matrix with (-1) and thus make it > > right-handed. This is fine for me now, because I need only axes > > orientation, but not the > > direction. > > > > However, it could be something wrong with the switching to > > right-handed rotation algorithm. > > > > Thanks, Nick > > > > On 03/19/12 14:55, Robert Hanson wrote: > > > Your rot2 matrix is a left-handed axis system, not a right-handed > > one. > > > That matrix has a determinant of -1, not 1. > > > > > > Jmol is considering your left-handed matrix > > > > > > [-0.430167 -0.38484102 0.816611] > > > [0.693676 -0.719811 0.0261867] > > > [-0.57772803 -0.57772905 -0.57659] ] > > > > > > and the proper rotation > > > > > > [0.92022824 0.35561728 0.16345158] > > > [0.24758267 -0.8523756 0.46060687] > > > [0.3031219 -0.38339567 -0.8724247] ] > > > > > > to be identical rotations. > > > > > > > > > > > > On Mon, Mar 19, 2012 at 6:02 AM, Nikolay Bogdanov > > > > > >> > > wrote: > > > > > > Hi, > > > > > > I try to find out how to apply a rotation matrix to the model > > with > > > jmol. I have a matrix to be applied to coordinates this way: > > > matrix [[a1,b1,c1],[a2,b2,c2],[a3,b3,c3]] > > > xnew=a1*x+b1*y+c1*z, ynew=a2*x+b2*y+c2*z etc > > > > > > It looks like I need just to do \$ rotate selected @matrix. > But it > > > works for one matrix and doesn't with another (I've checked > with > > > manually multiplied > > > coordinates). Then I decided to check how does jmol rotate > > > coordinates with matrix and found that in one case > transformation > > > equal to matrix, and in > > > other not. The same, as for my models. > > > > > > Is it a bug, or a feature, and how can I get rotation for the > > second > > > matrix? > > > > > > > > > \$ show transform > > > transform: > > > [ > > > [1.0 0.0 0.0] > > > [0.0 1.0 0.0] > > > [0.0 0.0 1.0] ] > > > \$ show rot > > > rot = [ > > > [0.0444209 -0.23927301 0.969936] > > > [0.0448276 -0.969439 -0.24120401] > > > [0.998007 0.0541943 -0.0323373] ] > > > \$ rotate @rot > > > \$ show transform > > > transform: > > > [ > > > [0.044420823 -0.23927324 0.9699356] > > > [0.044827897 -0.9694386 -0.24120365] > > > [0.99800664 0.05419464 -0.032337148] ] > > > > > > ... rotate back > > > > > > \$ show transform > > > transform: > > > [ > > > [1.0 0.0 0.0] > > > [0.0 1.0 0.0] > > > [0.0 0.0 1.0] ] > > > \$ show rot2 > > > rot2 = [ > > > [-0.430167 -0.38484102 0.816611] > > > [0.693676 -0.719811 0.0261867] > > > [-0.57772803 -0.57772905 -0.57659] ] > > > \$ rotate @rot2 > > > \$ show transform > > > transform: > > > [ > > > [0.9202282 0.35561728 0.16345158] > > > [0.2475827 -0.85237557 0.46060684] > > > [0.3031219 -0.3833956 -0.8724247] ] > > > > > > Thanks, Nick > > > > > > > > > ------------------------------------------------------------------------------ > > > This SF email is sponsosred by: > > > Try Windows Azure free for 90 days Click Here > > > http://p.sf.net/sfu/sfd2d-msazure > > > _______________________________________________ > > > Jmol-users mailing list > > > Jmol-users@... > > > > > > > > > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > > > > > > > > > > > -- > > > Robert M. Hanson > > > Professor of Chemistry > > > St. Olaf College > > > 1520 St. Olaf Ave. > > > Northfield, MN 55057 > > > http://www.stolaf.edu/people/hansonr > > > phone: 507-786-3107 > > > > > > > > > If nature does not answer first what we want, > > > it is better to take what answer we get. > > > > > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > > > > > > > > > > > > ------------------------------------------------------------------------------ > > > This SF email is sponsosred by: > > > Try Windows Azure free for 90 days Click Here > > > http://p.sf.net/sfu/sfd2d-msazure > > > > > > > > > > > > _______________________________________________ > > > Jmol-users mailing list > > > Jmol-users@... > > > > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > ------------------------------------------------------------------------------ > > This SF email is sponsosred by: > > Try Windows Azure free for 90 days Click Here > > http://p.sf.net/sfu/sfd2d-msazure > > _______________________________________________ > > Jmol-users mailing list > > Jmol-users@... > > > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > > > > > > -- > > Robert M. Hanson > > Professor of Chemistry > > St. Olaf College > > 1520 St. Olaf Ave. > > Northfield, MN 55057 > > http://www.stolaf.edu/people/hansonr > > phone: 507-786-3107 > > > > > > If nature does not answer first what we want, > > it is better to take what answer we get. > > > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > > > > > > ------------------------------------------------------------------------------ > > This SF email is sponsosred by: > > Try Windows Azure free for 90 days Click Here > > http://p.sf.net/sfu/sfd2d-msazure > > > > > > > > _______________________________________________ > > Jmol-users mailing list > > Jmol-users@... > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > _______________________________________________ > Jmol-users mailing list > Jmol-users@... > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ```