[Jmol-users] advice needed

2007-02-14 Thread Bob Hanson
OK, I've got rotation, translation, and inversion of selected atoms 
going now. It can all be scripted using

rotateSelected
translateSelected
invertSelected

The question is: How to specify this with the mouse? Right now I've set 
it up (11.1.13) so that if you

set allowRotateSelected

and then hold down the ALT key, only the selected atoms rotate.


Here's a quiz for you. What does the following script do?

load "files" "cholesterol.mol" "cholesterol.mol"
file 0;display *;
select file=1; invertselected
translateselected {0 5 5}
center visible
rotateselected x 180
rotateselected y 180

thefile = 1
spinrate = 10

message _here
select file = thefile
rotateSelected spin internal x @spinrate
thefile = 3 - thefile
spinrate = - spinrate
delay 0.05
goto _here




Bob


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Re: [Jmol-users] advice needed

2007-02-14 Thread Dean Johnston
WOW!  This is what I needed two months ago.  You just made about half of my
Javascript code unnecessary, but it's so much easier and cleaner to do it
within Jmol.

> OK, I've got rotation, translation, and inversion of selected atoms
> going now. It can all be scripted using
> 
> rotateSelected
> translateSelected
> invertSelected
> 
> The question is: How to specify this with the mouse? Right now I've set
> it up (11.1.13) so that if you
> 
> set allowRotateSelected
Should you do something like:

set altMouseMode ( rotateSelected | translateSelected | invertSelected )
???

It would be cool to be able to control inversion with the mouse..  (I really
like the rotateSelected with the mouse)

Another idea.  Can you RESTRICT the rotateSelected to be only around an
arbitrary axis?

> Here's a quiz for you. What does the following script do?
  Ummm, synchronized spinners?  Oddly enough, one molecule disappeared after
a minute or two.

> great -- you can use the Miller indices and select symmetry operation sets:
> select symop=1555
> invertselected HKL {1/2 1/2 0}
  Yeah, it's been a while since I've used Miller indices - ok, that will be
MUCH simpler.

> Let's see.. What's an improper rotation again? Oh, sure, that's trivial --
Yes, just roto-reflection.  Trivial.

Dean



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