> > On Nov 16, 2005, at 3:43 PM, Miguel wrote: > >> >>> Is there a way to get Jmol to tell me the current centerAt boundbox >>> coordinates, once I have changed the center by a command such as >>> "center 124:a.ca" ? >> >> Not sure exactly what you are asking with the phrase 'current centerAt >> boundbox' > > what I meant was > "current centerAt boundbox coordinates" > I think that is different.
There is no such thing ... or, better said ... I still don't understand what you are asking. > i.e., the current coordinates that jmol is using, so that I could > issue the command > centerAt boundbox x y z > using the coordinates in place of x,y,z. I don't understand. > so, if I say > > center atomno=23 > > then i would like to be able to say, > > centerAt boundbox xcoord ycoord zcoord OK ... I think that you are getting confused by 'boundbox' I think what you want is: center atomno=23; show center; centerAt absolute <x-from-atom-23> <y-from-above> <z-from-above> Note that in this case, since you specified only one atom, then the center that is reported by 'show center' will be the coordinates of that atom. So that when you say 'centerAt absolute x y z' you will be pluggin in the coordinates from X > and get the same result. I am looking for the values of xcoord, etyc. > that will give me the same result as "center atomno=23. > > I don't think that is addressed by what is below, if I understand it > correctly. You want to specify absolute coordinates for the center of rotation. center absolute <x> <y> <z> Note that this is quite different from 'boundbox' or 'average' Miguel ------------------------------------------------------- This SF.Net email is sponsored by the JBoss Inc. Get Certified Today Register for a JBoss Training Course. Free Certification Exam for All Training Attendees Through End of 2005. For more info visit: http://ads.osdn.com/?ad_idv28&alloc_id845&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
