Re: [Jmol-users] read efvet files for surface potential?

2008-11-12 Thread Frieda Reichsman
Bob, you are the coolest! Thanks very much. On Nov 12, 2008, at 4:40 PM, Robert Hanson wrote: yes. If you selected the electrostatic potential values when you read the original file, then they will still be there when you load the saved JVXL file. While the original file has several possibl

Re: [Jmol-users] MLP and Lipophility

2008-11-12 Thread Frieda Reichsman
Jeff, I'm not sure if it will substitute for you, but the eF-site server colors surfaces using a hydrophobicity color scale as well as an electrostatic potential scale. The output is in a form that Jmol can read, (efvet file) as of the next release. http://ef-site.hgc.jp/eF-surf/index.jsp

Re: [Jmol-users] Scripting documentation mirror

2008-11-12 Thread Angel Herráez
So I've added a link to the Sourceforge copy of the Scripting Doc in the main Wiki page, under the Documentation section (lower right box). If anyone wants to add other mirrors, the page to edit is http://wiki.jmol.org/index.php/Template:Jmol_Documentation

Re: [Jmol-users] I'm having trouble with "goto" in scripts with 11.6.4...

2008-11-12 Thread Robert Hanson
that should be easily reproducible -- please send the offending script. On Wed, Nov 12, 2008 at 8:10 AM, Jonathan Gutow <[EMAIL PROTECTED]> wrote: > I think I've found it. At some point the "message loop" statement > gets lost or cleared so that the script processor does not know where > to retu

Re: [Jmol-users] read efvet files for surface potential?

2008-11-12 Thread Robert Hanson
yes. If you selected the electrostatic potential values when you read the original file, then they will still be there when you load the saved JVXL file. While the original file has several possible values, the JVXL file will only store one. I also found a bit of code that was causing JVXL file re

Re: [Jmol-users] Scripting documentation mirror

2008-11-12 Thread Egon Willighagen
On Wed, Nov 12, 2008 at 7:49 PM, Angel Herraez <[EMAIL PROTECTED]> wrote: > To me it sounds as a very interesting suggestion. From here in Spain, > the page load time from the StOlaf server is regularly rather long. > An alternative server would hence be of help. Mind that the JavaScript takes qui

Re: [Jmol-users] read efvet files for surface potential?

2008-11-12 Thread Frieda Reichsman
No problem, my pleasure ;) It's really exciting to get this kind of access. Will these new jvxl files include the EP values? (maybe I am mixing apples and oranges, just thought I'd ask.) On Nov 12, 2008, at 8:50 AM, Robert Hanson wrote: oooh -- now we're talking. Using a new algorithm I

Re: [Jmol-users] Scripting documentation mirror

2008-11-12 Thread Angel Herraez
Thanks for raising this, Rolf To me it sounds as a very interesting suggestion. From here in Spain, the page load time from the StOlaf server is regularly rather long. An alternative server would hence be of help. Of course, I'm not sure of how difficult it may be to maintain an up- to-date cop

[Jmol-users] Scripting documentation mirror

2008-11-12 Thread Rolf Huehne
Hi all, the failure of the scripting documentation server during the last days reminded that it would be very good to have mirror sites providing this documentation too. >From my analysis of the source code of the documentation (and practical tests) it became clear that it is rather difficu

Re: [Jmol-users] read efvet files for surface potential?

2008-11-12 Thread Frieda Reichsman
Nice. Never has it been so easy to get an MEP surface! This looks very good. This test version of Jmol (app) did crash however, with the command, color isosurface translucent 3 Maybe this is not a big deal in an advance, test version. But here are some details in case: The Mac console says

Re: [Jmol-users] I'm having trouble with "goto" in scripts with 11.6.4...

2008-11-12 Thread Jonathan Gutow
I think I've found it. At some point the "message loop" statement gets lost or cleared so that the script processor does not know where to return to. I haven't tried playing with spaces, linefeeds and returns yet. Any thoughts on what the most likely cause is. Could it be associated wit

Re: [Jmol-users] I'm having trouble with "goto" in scripts with 11.6.4...

2008-11-12 Thread Jonathan Gutow
I'll look again. However, I didn't see anything in the console and everything I scripted does happen once. These scripts were also working with 11.4.4. I will also try going back and stepping through the various updates to see where they break. It could be a memory issue. I haven't che

Re: [Jmol-users] read efvet files for surface potential?

2008-11-12 Thread Robert Hanson
oooh -- now we're talking. Using a new algorithm I wrote last night, I'm getting 23:1 compression creating JVXL files from those efvet files. So the 20 Mb file comes down to 890K. And with gzip compression, that comes out 471K. So that's 43:1 compression. That should work for web-based delivery. A