Re: [Jmol-users] Drawing Bonds Between Different symops in Unit Cell

2007-05-15 Thread Patrick J. Carroll
Bob, I've been playing with your code suggestions that involve using the "translateselected" command. The problem I'm having is that it seems there can't be more than one occurrence of a symmetry operation but with different translations. E.g., it seems to be impossible to have both a

Re: [Jmol-users] Drawing Bonds Between Different symops in Unit Cell

2007-05-15 Thread Patrick J. Carroll
Thanks Bob! That looks like a much more efficient way of doing things. - This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limi

Re: [Jmol-users] Drawing Bonds Between Different symops in Unit Cell

2007-05-14 Thread Bob Hanson
Well, this web site http://macxray.chem.upenn.edu/gam/9129b.html is still using 11.0.2, so that won't help. You need to download 11.1.39. I think what the problem is is that you are trying to use "symop=3555" and it is not what you think it is. Your page suggests that what you want to do is show

Re: [Jmol-users] Drawing Bonds Between Different symops in Unit Cell

2007-05-14 Thread P.J. Carroll
Bob, I'm also getting some similar weird behavior - if I explicitly select 3555 it appears where 3666 should be AND 3444 appears where 3555 should be. BUT now I can't seem to get the same behavior with the buttons on my webpage! I'm confused?? ---

Re: [Jmol-users] Drawing Bonds Between Different symops in Unit Cell

2007-05-14 Thread Bob Hanson
Patrick J. Carroll wrote: >Bob, > I'm trying to work through your suggestions about using "display", >but meanwhile, I've noticed some other strange behavior. On that same page, > > http://macxray.chem.upenn.edu/gam/9129b.html > >when I try to add a molecule by using symm

Re: [Jmol-users] Drawing Bonds Between Different symops in Unit Cell

2007-05-14 Thread Patrick J. Carroll
Bob, I'm trying to work through your suggestions about using "display", but meanwhile, I've noticed some other strange behavior. On that same page, http://macxray.chem.upenn.edu/gam/9129b.html when I try to add a molecule by using symmetry operation no. 3 (center of

Re: [Jmol-users] Drawing Bonds Between Different symops in Unit Cell

2007-05-13 Thread Bob Hanson
They are all already connected; that's not the problem. The problem is with: "cpk 0; wireframe 0; select none; select symop="+whichSymmetry()+"; cpk 15%; wireframe 0.10;" You are turning on and off atoms using cpk and wireframe instead of just display. What you want is something like: "displa

[Jmol-users] Drawing Bonds Between Different symops in Unit Cell

2007-05-13 Thread P.J. Carroll
I need some scripting help (Again!) I've been writing pages to draw unit cell packing diagrams. Sometimes an added symop should be bonded to an already-displayed one. For example, in http://macxray.chem.upenn.edu/gam/9129b.html if you add symmetry operation -x, -y, -z wi