From: Chris F. <chr...@st...> - 2009-04-29 14:17:13
|
Hi Jmol users, I would like to be rotate the selected atoms with the mouse. The rotateSelected command is almost perfect... but only works via scripting, not mouse interaction. The "allowrotateselected = true" setting is also close but rotates the entire molecule, not just the selected atoms. I was wondering (hoping) if I've missed something that would let me set this up quickly and easily. If not, no worries. I can write a small Java application that will do the job. Cheers, Chris Foley. |
From: Robert H. <ha...@st...> - 2009-04-29 15:21:39
|
It's in there, at least for Jmol 11.7. See http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm 30. selective atom rotation and translation # Using set dragSelected in Jmol 11.7.25 you can move selected atoms around, translating them with ALT-SHIFT-LEFT mouse and rotating them around their geometric center using ALT-LEFT or CTRL-ALT-RIGHT. Selection halos are automatically turned on during mouse-drag actions. (Still a few bugs there....) load caffeine.xyz;load append water.xyz;frame 0;select 2.1;selectionHalos on set dragSelected !dragSelected On Wed, Apr 29, 2009 at 9:16 AM, Chris Foley <chr...@st... > wrote: > Hi Jmol users, > > I would like to be rotate the selected atoms with the mouse. > > The rotateSelected command is almost perfect... but only works via > scripting, not mouse interaction. > > The "allowrotateselected = true" setting is also close but rotates the > entire molecule, not just the selected atoms. > > > I was wondering (hoping) if I've missed something that would let me set > this up quickly and easily. If not, no worries. I can write a small Java > application that will do the job. > > Cheers, > Chris Foley. > > > ------------------------------------------------------------------------------ > Register Now & Save for Velocity, the Web Performance & Operations > Conference from O'Reilly Media. Velocity features a full day of > expert-led, hands-on workshops and two days of sessions from industry > leaders in dedicated Performance & Operations tracks. Use code vel09scf > and Save an extra 15% before 5/3. http://p.sf.net/sfu/velocityconf > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > 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 |
From: Chris F. <chr...@st...> - 2009-04-30 10:55:25
|
<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"> <html> <head> <meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type"> <title></title> </head> <body bgcolor="#ffffff" text="#000000"> Thanks for the reply Robert. I downloaded 11.7.33 but unfortunately I can't get the rotation to work. I can translate the atoms as you describe but can't rotate them.<br> <br> Also, is it possible to change the point the atoms rotate around? The kind of thing I want to do is rotate a group around the atom it is attached to.<br> <br> Thanks again,<br> Chris.<br> <br> <br> <br> <br> Robert Hanson wrote: <blockquote cite="mid:ba9...@ma..." type="cite">It's in there, at least for Jmol 11.7. See <a moz-do-not-send="true" href="http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm">http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm</a><br> <br> 30. selective atom rotation and translation<br> <br> # Using set dragSelected in Jmol 11.7.25 you can move selected atoms around, translating them with ALT-SHIFT-LEFT mouse and rotating them around their geometric center using ALT-LEFT or CTRL-ALT-RIGHT. Selection halos are automatically turned on during mouse-drag actions. (Still a few bugs there....)<br> <br> load caffeine.xyz;load append water.xyz;frame 0;select 2.1;selectionHalos on<br> set dragSelected !dragSelected<br> <br> <br> <div class="gmail_quote">On Wed, Apr 29, 2009 at 9:16 AM, Chris Foley <span dir="ltr"><<a moz-do-not-send="true" href="mailto:chr...@st...">chr...@st...</a>></span> wrote:<br> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hi Jmol users,<br> <br> I would like to be rotate the selected atoms with the mouse.<br> <br> The rotateSelected command is almost perfect... but only works via<br> scripting, not mouse interaction.<br> <br> The "allowrotateselected = true" setting is also close but rotates the<br> entire molecule, not just the selected atoms.<br> <br> <br> I was wondering (hoping) if I've missed something that would let me set<br> this up quickly and easily. If not, no worries. I can write a small Java<br> application that will do the job.<br> <br> Cheers,<br> Chris Foley.<br> <br> ------------------------------------------------------------------------------<br> Register Now & Save for Velocity, the Web Performance & Operations<br> Conference from O'Reilly Media. Velocity features a full day of<br> expert-led, hands-on workshops and two days of sessions from industry<br> leaders in dedicated Performance & Operations tracks. Use code vel09scf<br> and Save an extra 15% before 5/3. <a moz-do-not-send="true" href="http://p.sf.net/sfu/velocityconf" target="_blank">http://p.sf.net/sfu/velocityconf</a><br> _______________________________________________<br> Jmol-users mailing list<br> <a moz-do-not-send="true" href="mailto:Jmo...@li...">Jmo...@li...</a><br> <a moz-do-not-send="true" href="https://lists.sourceforge.net/lists/listinfo/jmol-users" target="_blank">https://lists.sourceforge.net/lists/listinfo/jmol-users</a><br> </blockquote> </div> <br> <br clear="all"> <br> -- <br> Robert M. Hanson<br> Professor of Chemistry<br> St. Olaf College<br> 1520 St. Olaf Ave.<br> Northfield, MN 55057<br> <a moz-do-not-send="true" href="http://www.stolaf.edu/people/hansonr">http://www.stolaf.edu/people/hansonr</a><br> phone: 507-786-3107<br> <br> <br> If nature does not answer first what we want,<br> it is better to take what answer we get. <br> <br> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900<br> </blockquote> </body> </html> |
From: Robert H. <ha...@st...> - 2009-04-30 14:10:17
|
Did it work at http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm # 30? On Thu, Apr 30, 2009 at 5:54 AM, Chris Foley <chr...@st... > wrote: > Thanks for the reply Robert. I downloaded 11.7.33 but unfortunately I > can't get the rotation to work. I can translate the atoms as you describe > but can't rotate them. > > Also, is it possible to change the point the atoms rotate around? The kind > of thing I want to do is rotate a group around the atom it is attached to. > > Thanks again, > Chris. > > > > > > Robert Hanson wrote: > > It's in there, at least for Jmol 11.7. See > http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm > > 30. selective atom rotation and translation > > # Using set dragSelected in Jmol 11.7.25 you can move selected atoms > around, translating them with ALT-SHIFT-LEFT mouse and rotating them around > their geometric center using ALT-LEFT or CTRL-ALT-RIGHT. Selection halos are > automatically turned on during mouse-drag actions. (Still a few bugs > there....) > > load caffeine.xyz;load append water.xyz;frame 0;select 2.1;selectionHalos > on > set dragSelected !dragSelected > > > On Wed, Apr 29, 2009 at 9:16 AM, Chris Foley < > chr...@st...> wrote: > >> Hi Jmol users, >> >> I would like to be rotate the selected atoms with the mouse. >> >> The rotateSelected command is almost perfect... but only works via >> scripting, not mouse interaction. >> >> The "allowrotateselected = true" setting is also close but rotates the >> entire molecule, not just the selected atoms. >> >> >> I was wondering (hoping) if I've missed something that would let me set >> this up quickly and easily. If not, no worries. I can write a small Java >> application that will do the job. >> >> Cheers, >> Chris Foley. >> >> >> ------------------------------------------------------------------------------ >> Register Now & Save for Velocity, the Web Performance & Operations >> Conference from O'Reilly Media. Velocity features a full day of >> expert-led, hands-on workshops and two days of sessions from industry >> leaders in dedicated Performance & Operations tracks. Use code vel09scf >> and Save an extra 15% before 5/3. http://p.sf.net/sfu/velocityconf >> _______________________________________________ >> Jmol-users mailing list >> Jmo...@li... >> 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 > > > > ------------------------------------------------------------------------------ > Register Now & Save for Velocity, the Web Performance & Operations > Conference from O'Reilly Media. Velocity features a full day of > expert-led, hands-on workshops and two days of sessions from industry > leaders in dedicated Performance & Operations tracks. Use code vel09scf > and Save an extra 15% before 5/3. http://p.sf.net/sfu/velocityconf > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > 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 |
From: Chris F. <chr...@st...> - 2009-04-30 14:27:03
|
<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"> <html> <head> <meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type"> <title></title> </head> <body bgcolor="#ffffff" text="#000000"> I'm afraid not. It appeared to work when the water molecule was selected. But all the atoms of HOH were selected. When I tried selecting a methyl group (select c13,h16,h17,h18) the whole caffeine molecule was rotated.<br> <br> In case it helps, I used Windows XP, Sun Java plugin 1.6.0_13 on Internet Explorer.<br> <br> Cheers,<br> Chris.<br> <br> <br> <br> <br> Robert Hanson wrote: <blockquote cite="mid:ba9...@ma..." type="cite">Did it work at <a moz-do-not-send="true" href="http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm">http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm</a><br> <br> # 30?<br> <br> <br> <div class="gmail_quote">On Thu, Apr 30, 2009 at 5:54 AM, Chris Foley <span dir="ltr"><<a moz-do-not-send="true" href="mailto:chr...@st...">chr...@st...</a>></span> wrote:<br> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> <div bgcolor="#ffffff" text="#000000"> Thanks for the reply Robert. I downloaded 11.7.33 but unfortunately I can't get the rotation to work. I can translate the atoms as you describe but can't rotate them.<br> <br> Also, is it possible to change the point the atoms rotate around? The kind of thing I want to do is rotate a group around the atom it is attached to.<br> <br> Thanks again,<br> <font color="#888888">Chris.</font> <div> <div class="h5"><br> <br> <br> <br> <br> Robert Hanson wrote: <blockquote type="cite">It's in there, at least for Jmol 11.7. See <a moz-do-not-send="true" href="http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm" target="_blank">http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm</a><br> <br> 30. selective atom rotation and translation<br> <br> # Using set dragSelected in Jmol 11.7.25 you can move selected atoms around, translating them with ALT-SHIFT-LEFT mouse and rotating them around their geometric center using ALT-LEFT or CTRL-ALT-RIGHT. Selection halos are automatically turned on during mouse-drag actions. (Still a few bugs there....)<br> <br> load caffeine.xyz;load append water.xyz;frame 0;select 2.1;selectionHalos on<br> set dragSelected !dragSelected<br> <br> <br> <div class="gmail_quote">On Wed, Apr 29, 2009 at 9:16 AM, Chris Foley <span dir="ltr"><<a moz-do-not-send="true" href="mailto:chr...@st..." target="_blank">chr...@st...</a>></span> wrote:<br> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hi Jmol users,<br> <br> I would like to be rotate the selected atoms with the mouse.<br> <br> The rotateSelected command is almost perfect... but only works via<br> scripting, not mouse interaction.<br> <br> The "allowrotateselected = true" setting is also close but rotates the<br> entire molecule, not just the selected atoms.<br> <br> <br> I was wondering (hoping) if I've missed something that would let me set<br> this up quickly and easily. If not, no worries. I can write a small Java<br> application that will do the job.<br> <br> Cheers,<br> Chris Foley.<br> <br> ------------------------------------------------------------------------------<br> Register Now & Save for Velocity, the Web Performance & Operations<br> Conference from O'Reilly Media. Velocity features a full day of<br> expert-led, hands-on workshops and two days of sessions from industry<br> leaders in dedicated Performance & Operations tracks. Use code vel09scf<br> and Save an extra 15% before 5/3. <a moz-do-not-send="true" href="http://p.sf.net/sfu/velocityconf" target="_blank">http://p.sf.net/sfu/velocityconf</a><br> _______________________________________________<br> Jmol-users mailing list<br> <a moz-do-not-send="true" href="mailto:Jmo...@li..." target="_blank">Jmo...@li...</a><br> <a moz-do-not-send="true" href="https://lists.sourceforge.net/lists/listinfo/jmol-users" target="_blank">https://lists.sourceforge.net/lists/listinfo/jmol-users</a><br> </blockquote> </div> <br> <br clear="all"> <br> -- <br> Robert M. Hanson<br> Professor of Chemistry<br> St. Olaf College<br> 1520 St. Olaf Ave.<br> Northfield, MN 55057<br> <a moz-do-not-send="true" href="http://www.stolaf.edu/people/hansonr" target="_blank">http://www.stolaf.edu/people/hansonr</a><br> phone: 507-786-3107<br> <br> <br> If nature does not answer first what we want,<br> it is better to take what answer we get. <br> <br> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900<br> </blockquote> </div> </div> </div> <br> ------------------------------------------------------------------------------<br> Register Now & Save for Velocity, the Web Performance & Operations<br> Conference from O'Reilly Media. Velocity features a full day of<br> expert-led, hands-on workshops and two days of sessions from industry<br> leaders in dedicated Performance & Operations tracks. Use code vel09scf<br> and Save an extra 15% before 5/3. <a moz-do-not-send="true" href="http://p.sf.net/sfu/velocityconf" target="_blank">http://p.sf.net/sfu/velocityconf</a><br> _______________________________________________<br> Jmol-users mailing list<br> <a moz-do-not-send="true" href="mailto:Jmo...@li...">Jmo...@li...</a><br> <a moz-do-not-send="true" href="https://lists.sourceforge.net/lists/listinfo/jmol-users" target="_blank">https://lists.sourceforge.net/lists/listinfo/jmol-users</a><br> <br> </blockquote> </div> <br> <br clear="all"> <br> -- <br> Robert M. Hanson<br> Professor of Chemistry<br> St. Olaf College<br> 1520 St. Olaf Ave.<br> Northfield, MN 55057<br> <a moz-do-not-send="true" href="http://www.stolaf.edu/people/hansonr">http://www.stolaf.edu/people/hansonr</a><br> phone: 507-786-3107<br> <br> <br> If nature does not answer first what we want,<br> it is better to take what answer we get. <br> <br> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900<br> </blockquote> </body> </html> |
From: Robert H. <ha...@st...> - 2009-04-30 14:55:07
|
ah, ok. I see. Hard to believe this is going to be useful, considering the degrees of freedom. How do you figure it will be used? On Thu, Apr 30, 2009 at 9:26 AM, Chris Foley <chr...@st... > wrote: > I'm afraid not. It appeared to work when the water molecule was selected. > But all the atoms of HOH were selected. When I tried selecting a methyl > group (select c13,h16,h17,h18) the whole caffeine molecule was rotated. > > In case it helps, I used Windows XP, Sun Java plugin 1.6.0_13 on Internet > Explorer. > > Cheers, > Chris. > > > > > > Robert Hanson wrote: > > Did it work at http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm > > # 30? > > > On Thu, Apr 30, 2009 at 5:54 AM, Chris Foley < > chr...@st...> wrote: > >> Thanks for the reply Robert. I downloaded 11.7.33 but unfortunately I >> can't get the rotation to work. I can translate the atoms as you describe >> but can't rotate them. >> >> Also, is it possible to change the point the atoms rotate around? The kind >> of thing I want to do is rotate a group around the atom it is attached to. >> >> Thanks again, >> Chris. >> >> >> >> >> Robert Hanson wrote: >> >> It's in there, at least for Jmol 11.7. See >> http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm >> >> 30. selective atom rotation and translation >> >> # Using set dragSelected in Jmol 11.7.25 you can move selected atoms >> around, translating them with ALT-SHIFT-LEFT mouse and rotating them around >> their geometric center using ALT-LEFT or CTRL-ALT-RIGHT. Selection halos are >> automatically turned on during mouse-drag actions. (Still a few bugs >> there....) >> >> load caffeine.xyz;load append water.xyz;frame 0;select 2.1;selectionHalos >> on >> set dragSelected !dragSelected >> >> >> On Wed, Apr 29, 2009 at 9:16 AM, Chris Foley < >> chr...@st...> wrote: >> >>> Hi Jmol users, >>> >>> I would like to be rotate the selected atoms with the mouse. >>> >>> The rotateSelected command is almost perfect... but only works via >>> scripting, not mouse interaction. >>> >>> The "allowrotateselected = true" setting is also close but rotates the >>> entire molecule, not just the selected atoms. >>> >>> >>> I was wondering (hoping) if I've missed something that would let me set >>> this up quickly and easily. If not, no worries. I can write a small Java >>> application that will do the job. >>> >>> Cheers, >>> Chris Foley. >>> >>> >>> ------------------------------------------------------------------------------ >>> Register Now & Save for Velocity, the Web Performance & Operations >>> Conference from O'Reilly Media. Velocity features a full day of >>> expert-led, hands-on workshops and two days of sessions from industry >>> leaders in dedicated Performance & Operations tracks. Use code vel09scf >>> and Save an extra 15% before 5/3. http://p.sf.net/sfu/velocityconf >>> _______________________________________________ >>> Jmol-users mailing list >>> Jmo...@li... >>> 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 >> >> >> >> ------------------------------------------------------------------------------ >> Register Now & Save for Velocity, the Web Performance & Operations >> Conference from O'Reilly Media. Velocity features a full day of >> expert-led, hands-on workshops and two days of sessions from industry >> leaders in dedicated Performance & Operations tracks. Use code vel09scf >> and Save an extra 15% before 5/3. http://p.sf.net/sfu/velocityconf >> _______________________________________________ >> Jmol-users mailing list >> Jmo...@li... >> 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 > > > > ------------------------------------------------------------------------------ > Register Now & Save for Velocity, the Web Performance & Operations > Conference from O'Reilly Media. Velocity features a full day of > expert-led, hands-on workshops and two days of sessions from industry > leaders in dedicated Performance & Operations tracks. Use code vel09scf > and Save an extra 15% before 5/3. http://p.sf.net/sfu/velocityconf > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > 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 |
From: Chris F. <chr...@st...> - 2009-05-01 09:19:44
|
<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"> <html> <head> <meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type"> </head> <body bgcolor="#ffffff" text="#000000"> I really just want to use it as a quick and dirty way of editing molecules without having to script each change -- especially for macromolecules where the general shape can be more important for visualisation than precise bond angles. It's certainly a niche feature and if it's not intended to be a feature in Jmol it's not a problem. I can code what I need into my app quite easily.<br> <br> On the other hand, there was some chat about enabling some editing features. If this goes ahead, this might be quite a nice feature to include, if only to let the user get the general shape right before running an energy minimisation.<br> <br> Cheers,<br> Chris.<br> <br> <br> <br> Robert Hanson wrote: <blockquote cite="mid:ba9...@ma..." type="cite">ah, ok. I see. Hard to believe this is going to be useful, considering the degrees of freedom. How do you figure it will be used?<br> <br> <div class="gmail_quote">On Thu, Apr 30, 2009 at 9:26 AM, Chris Foley <span dir="ltr"><<a moz-do-not-send="true" href="mailto:chr...@st...">chr...@st...</a>></span> wrote:<br> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> <div bgcolor="#ffffff" text="#000000"> I'm afraid not. It appeared to work when the water molecule was selected. But all the atoms of HOH were selected. When I tried selecting a methyl group (select c13,h16,h17,h18) the whole caffeine molecule was rotated.<br> <br> In case it helps, I used Windows XP, Sun Java plugin 1.6.0_13 on Internet Explorer.<br> <br> Cheers,<br> <font color="#888888">Chris.</font> <div> <div class="h5"><br> <br> <br> <br> <br> Robert Hanson wrote: <blockquote type="cite">Did it work at <a moz-do-not-send="true" href="http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm" target="_blank">http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm</a><br> <br> # 30?<br> <br> <br> <div class="gmail_quote">On Thu, Apr 30, 2009 at 5:54 AM, Chris Foley <span dir="ltr"><<a moz-do-not-send="true" href="mailto:chr...@st..." target="_blank">chr...@st...</a>></span> wrote:<br> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> <div bgcolor="#ffffff" text="#000000">Thanks for the reply Robert. I downloaded 11.7.33 but unfortunately I can't get the rotation to work. I can translate the atoms as you describe but can't rotate them.<br> <br> Also, is it possible to change the point the atoms rotate around? The kind of thing I want to do is rotate a group around the atom it is attached to.<br> <br> Thanks again,<br> <font color="#888888">Chris.</font> <div> <div><br> <br> <br> <br> <br> Robert Hanson wrote: <blockquote type="cite">It's in there, at least for Jmol 11.7. See <a moz-do-not-send="true" href="http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm" target="_blank">http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm</a><br> <br> 30. selective atom rotation and translation<br> <br> # Using set dragSelected in Jmol 11.7.25 you can move selected atoms around, translating them with ALT-SHIFT-LEFT mouse and rotating them around their geometric center using ALT-LEFT or CTRL-ALT-RIGHT. Selection halos are automatically turned on during mouse-drag actions. (Still a few bugs there....)<br> <br> load caffeine.xyz;load append water.xyz;frame 0;select 2.1;selectionHalos on<br> set dragSelected !dragSelected<br> <br> <br> <div class="gmail_quote">On Wed, Apr 29, 2009 at 9:16 AM, Chris Foley <span dir="ltr"><<a moz-do-not-send="true" href="mailto:chr...@st..." target="_blank">chr...@st...</a>></span> wrote:<br> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hi Jmol users,<br> <br> I would like to be rotate the selected atoms with the mouse.<br> <br> The rotateSelected command is almost perfect... but only works via<br> scripting, not mouse interaction.<br> <br> The "allowrotateselected = true" setting is also close but rotates the<br> entire molecule, not just the selected atoms.<br> <br> <br> I was wondering (hoping) if I've missed something that would let me set<br> this up quickly and easily. If not, no worries. I can write a small Java<br> application that will do the job.<br> <br> Cheers,<br> Chris Foley.<br> <br> ------------------------------------------------------------------------------<br> Register Now & Save for Velocity, the Web Performance & Operations<br> Conference from O'Reilly Media. Velocity features a full day of<br> expert-led, hands-on workshops and two days of sessions from industry<br> leaders in dedicated Performance & Operations tracks. Use code vel09scf<br> and Save an extra 15% before 5/3. <a moz-do-not-send="true" href="http://p.sf.net/sfu/velocityconf" target="_blank">http://p.sf.net/sfu/velocityconf</a><br> _______________________________________________<br> Jmol-users mailing list<br> <a moz-do-not-send="true" href="mailto:Jmo...@li..." target="_blank">Jmo...@li...</a><br> <a moz-do-not-send="true" href="https://lists.sourceforge.net/lists/listinfo/jmol-users" target="_blank">https://lists.sourceforge.net/lists/listinfo/jmol-users</a><br> </blockquote> </div> <br> <br clear="all"> <br> -- <br> Robert M. Hanson<br> Professor of Chemistry<br> St. Olaf College<br> 1520 St. Olaf Ave.<br> Northfield, MN 55057<br> <a moz-do-not-send="true" href="http://www.stolaf.edu/people/hansonr" target="_blank">http://www.stolaf.edu/people/hansonr</a><br> phone: 507-786-3107<br> <br> <br> If nature does not answer first what we want,<br> it is better to take what answer we get. <br> <br> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900<br> </blockquote> </div> </div> </div> <br> ------------------------------------------------------------------------------<br> Register Now & Save for Velocity, the Web Performance & Operations<br> Conference from O'Reilly Media. Velocity features a full day of<br> expert-led, hands-on workshops and two days of sessions from industry<br> leaders in dedicated Performance & Operations tracks. Use code vel09scf<br> and Save an extra 15% before 5/3. <a moz-do-not-send="true" href="http://p.sf.net/sfu/velocityconf" target="_blank">http://p.sf.net/sfu/velocityconf</a><br> _______________________________________________<br> Jmol-users mailing list<br> <a moz-do-not-send="true" href="mailto:Jmo...@li..." target="_blank">Jmo...@li...</a><br> <a moz-do-not-send="true" href="https://lists.sourceforge.net/lists/listinfo/jmol-users" target="_blank">https://lists.sourceforge.net/lists/listinfo/jmol-users</a><br> <br> </blockquote> </div> <br> <br clear="all"> <br> -- <br> Robert M. Hanson<br> Professor of Chemistry<br> St. Olaf College<br> 1520 St. Olaf Ave.<br> Northfield, MN 55057<br> <a moz-do-not-send="true" href="http://www.stolaf.edu/people/hansonr" target="_blank">http://www.stolaf.edu/people/hansonr</a><br> phone: 507-786-3107<br> <br> <br> If nature does not answer first what we want,<br> it is better to take what answer we get. <br> <br> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900<br> </blockquote> </div> </div> </div> <br> ------------------------------------------------------------------------------<br> Register Now & Save for Velocity, the Web Performance & Operations<br> Conference from O'Reilly Media. Velocity features a full day of<br> expert-led, hands-on workshops and two days of sessions from industry<br> leaders in dedicated Performance & Operations tracks. Use code vel09scf<br> and Save an extra 15% before 5/3. <a moz-do-not-send="true" href="http://p.sf.net/sfu/velocityconf" target="_blank">http://p.sf.net/sfu/velocityconf</a><br> _______________________________________________<br> Jmol-users mailing list<br> <a moz-do-not-send="true" href="mailto:Jmo...@li...">Jmo...@li...</a><br> <a moz-do-not-send="true" href="https://lists.sourceforge.net/lists/listinfo/jmol-users" target="_blank">https://lists.sourceforge.net/lists/listinfo/jmol-users</a><br> <br> </blockquote> </div> <br> <br clear="all"> <br> -- <br> Robert M. Hanson<br> Professor of Chemistry<br> St. Olaf College<br> 1520 St. Olaf Ave.<br> Northfield, MN 55057<br> <a moz-do-not-send="true" href="http://www.stolaf.edu/people/hansonr">http://www.stolaf.edu/people/hansonr</a><br> phone: 507-786-3107<br> <br> <br> If nature does not answer first what we want,<br> it is better to take what answer we get. <br> <br> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900<br> </blockquote> </body> </html> |