Re: [Jmol-users] How to save to JVXL both surface and structure

2010-08-20 Thread Karl Oberholser
Bob, I had missed the capability of writing a data file as a zip file (xxx.jmol). I suppose that after doing the compare command on two protein molecules that you could write a xxx.jmol file rather than a xxx.pdb file? When I do this operation, I use 'load' and 'load append' putting the

Re: [Jmol-users] FW: Problem running Jmol 12.0 application in Linux

2010-08-20 Thread Robert Hanson
If the history file does not exist, HistoryFIle.getWindowPosition was returning a null value for window position, throwing the exception. I don't know why we haven't seen this before, unless we just haven't had any new Jmol users lately or it's something I messed up very recently. Seems to me we

Re: [Jmol-users] FW: Problem running Jmol 12.0 application in Linux

2010-08-20 Thread Robert Hanson
That site is back up. I've also uploaded the documentation to sourceForge. (which I was having trouble doing before) On Thu, Aug 19, 2010 at 10:53 PM, Robert Hanson hans...@stolaf.edu wrote: Thank you, Paul, for contacting us about this error. Looks like we had a bug that only appears for

Re: [Jmol-users] How to save to JVXL both surface and structure

2010-08-20 Thread Robert Hanson
Karl, the .jmol file is simply a ZIP file. The WRITE command is configured to automatically get the type of file from common extensions -- .GIF, .PNG, .SPT, .WRL, etc., and .JMOL. But it's just a ZIP file. It contains: - a manifest file that tells Jmol which file the autoload script is in. - a

[Jmol-users] zShade and slab/depth

2010-08-20 Thread Alexander Rose
Hi, is there a particular reason, why zShade Uses the value of the SLAB and DEPTH settings to determine the point of no effect and full effect? I find it quite limitating when I use zShade and slab/depth with slab on. Alex

[Jmol-users] camera dependent slab setting

2010-08-20 Thread Alexander Rose
Hi, I'm trying to get some nice settings for viewing specific parts of (large) proteins. When you view a protein at a level of atomic detail (ball and stick) and you dive into the protein it happens that atoms and bonds that obstruct the view on the parts you want to focus, because they are in

Re: [Jmol-users] camera dependent slab setting

2010-08-20 Thread Robert Hanson
Great idea! Exactly. The standard view is like looking through a telescope. Still have atoms between you and the focal point. What you want is to be there with no telescope. This is called set navigationMode :) Bob On Fri, Aug 20, 2010 at 1:01 PM, Alexander Rose alexander.r...@weirdbyte.de

Re: [Jmol-users] zShade and slab/depth

2010-08-20 Thread Robert Hanson
Hmm. Darn. I guess I didn't think about that because I so rarely use that combination The idea was to have the model fade out at the depth setting, since there isn't anything to see beyond that, anyway. I suppose what we need is zSlab and zDepth. Is thay your suggestion? Bob On Fri, Aug 20,

[Jmol-users] Anaglyph view

2010-08-20 Thread Tomas Norambuena
Hello, I use Jmol as an applet for my protein-DNA database. I would like to know how can I set the anaglyph view (red-cyan) so as to see the structures in color. Or if the developer team has not already developed I would like to know whether they will in the future or not. Thank you very much

[Jmol-users] show isosurface

2010-08-20 Thread Eran Hodis
Hi Bob, I'm interested in saving all the isosurface data in a given Jmol state as a jvxl file. The idea is to not only save the Jmol state for later recall, but also save all necessary isosurfaces so that when the state is recalled the user does not have to wait for surface calculation. I can

Re: [Jmol-users] show isosurface

2010-08-20 Thread Robert Hanson
On Fri, Aug 20, 2010 at 6:56 PM, Eran Hodis eran.ho...@weizmann.ac.ilwrote: Hi Bob, I'm interested in saving all the isosurface data in a given Jmol state as a jvxl file. The idea is to not only save the Jmol state for later recall, but also save all necessary isosurfaces so that when the

Re: [Jmol-users] show isosurface

2010-08-20 Thread Robert Hanson
Just added to Jmol 12.1.8: print getProperty(shapeInfo.isosurface.ID) isosurface1 s2 surface3 That is, if a property happens to be a list of associative arrays (a very common thing), then whereas normally you would think you would have to do this: print

Re: [Jmol-users] show isosurface

2010-08-20 Thread Robert Hanson
Oh, cool! print getproperty(modelinfo.models.name) [list of names] print getproperty(modelinfo.models.modelProperties.frequency) [list of frequencies] Why didn't I think of this before?? Bob On Fri, Aug 20, 2010 at 9:37 PM, Robert Hanson hans...@stolaf.edu wrote: Just added to Jmol 12.1.8:

Re: [Jmol-users] Fwd: Java embedding plugin

2010-08-20 Thread Robert Hanson
Three cheers for Phil! So good to see that this is all it is, so at least it is an identified and easily fixable problem. If we wanted to, we could even have the applet notify people of this issue if we wanted to. That might be a bit of a hack, I suppose. Bob -- Robert M. Hanson Professor of

Re: [Jmol-users] volume and area units?

2010-08-20 Thread Robert Hanson
[sorry about the delay -- I was at a conference, and this got buried] cubic and square angstroms. You probably already figured that out Bob Hanson On Wed, Aug 4, 2010 at 10:32 AM, Victor Rosas Garcia rosas.vic...@gmail.com wrote: Hello everybody, When using isosurface molecular volume

Re: [Jmol-users] write pdb and residue numbers greater 9999

2010-08-20 Thread Robert Hanson
fixed. It will roll over with 0001 0002 like that. Come to think of it, we could even read those back in properly as 1 10001 Hmm. On Tue, Aug 3, 2010 at 12:12 PM, Alexander Rose alexander.r...@weirdbyte.de wrote: Hi, Jmol does a fine job reading pdb files with more then

Re: [Jmol-users] show sequence and insertion codes

2010-08-20 Thread Robert Hanson
not going to be changed, I think. On Mon, Aug 2, 2010 at 10:15 AM, Paul Pillot paul.pil...@ac-orleans-tours.fr wrote: I've realized that the show sequence command doesn't report the insertion codes, whereas the show residue command does. I don't know if it is the expected behavior (for

Re: [Jmol-users] Innovation in the Jmol project

2010-08-20 Thread Robert Hanson
well, that didn't work! I just uncovered this message in my inbox. Sorry about that. It was a busy spring In case you are still interested, the list of innovations for the last year can be found at http://chemapps.stolaf.edu/jmol/docs/examples-12/new12.htm I'd love to hear as well what

[Jmol-users] Fwd: Welcome to the Jmol-users mailing list

2010-08-20 Thread Robert Hanson
Look what I just found -- Has it really been 6 YEARS? Bob -- Forwarded message -- From: jmol-users-requ...@lists.sourceforge.net Date: Sat, Aug 28, 2004 at 11:15 AM Subject: Welcome to the Jmol-users mailing list To: hans...@stolaf.edu Welcome to the

Re: [Jmol-users] rotateSelected and translateSelected does not work in 12.0.RC[34]

2010-08-20 Thread Robert Hanson
I do wish I hadn't missed this one Sorry Daniel -- it went under my radar. This is what we just fixed. Oy, April! On Thu, Apr 8, 2010 at 9:42 AM, Daniel Lundin daniel.lun...@molbio.su.sewrote: Hi, I am using rotateSelected and translateSelected to superpose two protein molecules. My code

Re: [Jmol-users] alpha transparency not working

2010-08-20 Thread Robert Hanson
Sergio -- this message got lost. Very sorry. Remind me how alpha transparency is SUPPOSED to work in relation to Pov-ray if you are still interested. There was a problem with alpha translucency and I had to turn it off. But if you need it, we might be able to try something. 2010/4/19 Sérgio

Re: [Jmol-users] Possible problem with the representation of a double bond

2010-08-20 Thread Robert Hanson
On Tue, Jul 13, 2010 at 1:34 PM, Shore, Jay jay.sh...@sdstate.edu wrote: Any suggestions as to where I should look in the code to try to remove this effect? no idea. It's important it does it this way, actually. What were you thinking would be better? Thanks, Jay On 7/12/10 11:33