[Jmol-users] displaying the b-factor

2010-03-08 Thread Durga Bhavani Kuchibhatla
Hello everybody, I have a protien structure file in pdb format which contains the conservation values in the b-factor column. I would like to project these values on to the individual residues using some color scheme in jmol and display the structure. Can anybody suggest an efficient way of doing

Re: [Jmol-users] black-and-white ORTEP diagrams? (was: CCL: Visualizing Software)

2010-03-08 Thread Robert Hanson
That's ridiculous. Sorry, but to try to go retro on this is just too strange. Stay with 3D. Enjoy the modern world of color (or grey scales) and interactivity. The Jmol documentation gives plenty of help with getting the anisotropic ellipsoids rendered various ways. We have the cutouts and lines

Re: [Jmol-users] draw ARC won't stay FIXED during animation

2010-03-08 Thread Robert Hanson
example please. I was working there recently. On Sat, Mar 6, 2010 at 9:27 PM, Dean Johnston djohnsto...@gmail.com wrote: Possible bug with newer version of Jmol (11.9.32). I'm finding that the arcs that I'm drawing (with the FIXED option) are popping on and off during animations. This

Re: [Jmol-users] draw ARC won't stay FIXED during animation

2010-03-08 Thread Dean Johnston
I'll post one as soon as I can - my current observations are on a complex page - I'll try and nail it down to the simplest possible case. Dean On Mon, Mar 8, 2010 at 8:59 AM, Robert Hanson hans...@stolaf.edu wrote: example please. I was working there recently. On Sat, Mar 6, 2010 at 9:27 PM,

[Jmol-users] Jmol align

2010-03-08 Thread Kersten Schroeder
Dear Robert, I really enjoy Jmol and am currently using it on a website I help create for the kink-turn RNA motif (http://www.dundee.ac.uk/biocentre/nasg/kturn/kturns_all.php). Do you plan to develop a way to align model 1 onto model 2 in Jmol script? Pairfit in PyMol does it, so there may be

Re: [Jmol-users] black-and-white ORTEP diagrams? (was : CCL: Visualizing Software)

2010-03-08 Thread rgb
I kinda agree with Bob. I certainly wouldn't want Jmol to be able to produce something of the quality of the image in that first link Egon quoted :-) But, if Jmol is to be a tool to produce hard-copy images for publications then an argument could be made for a really good-looking ORTEP style image

Re: [Jmol-users] black-and-white ORTEP diagrams? (was: CCL: Visualizing Software)

2010-03-08 Thread Robert Hanson
Labeling -- my experience is that label positioning for final copy is a real pain, and no smart program is going to do it well. Most publishers will prefer to put their own labels in anyway no matter what you do. Nonetheless, the following is SUPPOSED to work well: set picking labels and then

[Jmol-users] expression for multiple cells?

2010-03-08 Thread Phillip Barak
This could be dead easy...Let's say I:  load xxx.cif {5 5 5}and now want to select the 3x3x3 cells btwn {2 2 2} and {4 4 4}is there a clean way of doing so?--Phil -- Download Intel#174; Parallel Studio Eval Try the new

Re: [Jmol-users] Jmol align

2010-03-08 Thread Robert Hanson
A suggestion: If that is all you have, I would suggest pre-aligning. It's easy enough with those other programs --- just get the offsets necessary and then apply them in Jmol using translate {some atom list} {x.xxx y.yyy z.zzz} if you don't want to create all new model files. On Mon, Mar 8,