> On Nov 16, 2005, at 4:24 PM, Miguel wrote: > >> I think what you want is: >> >> center atomno=23; >> show center; >> centerAt absolute <x-from-atom-23> <y-from-above> <z-from-above> >> > > So, "from-above" indicates that the y and z coordinates in the > centerAt absolute command come from the show center report, whereas > the X coordinate comes from atom 23's x-coordinate in the pdb file?
Sorry ... my fault. I started to write it one way, then switched to write it the other. It is not the case that the x coordinate is treated differently from the y and z coordintates. The answer is both ... or either. x-from-atom-23 is exactly the same as x-from-above y-from-atom-23 is exactly the same as y-from-above z-from-atom-23 is exactly the same as z-from-above If you say : select atomno=23; show center; Then the coordinates that it shows will be exactly the coordinates of atom 23. >> 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. > > OK. If I had specified a group of atoms as the center, for example > center (146, 148, 234) and :a > > then "show center" would report the absolute coordinates for that > atomset? I am not comfortable with the phrase 'absolute coordinates for that atomset'. show center will show the *average*/*mean* coordinate for all the atoms in the atom set. > which could then be used in > centerAt absolute <x> <y> <z> > ? Yes >> So >> that when you say 'centerAt absolute x y z' you will be pluggin >> in the coordinates from X > > this looks like it got cut off... > > I have some more questions having to do with centerAt boundbox and > Chime compatibility, but I discussed them extensively with Tim > Driscoll last night and he will post to the list on that. OK 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
