Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Rolf Huehne
On 04/05/2010 06:50 PM, Robert Hanson wrote: Thanks, Peter. Yes, that's a killer. Definitely not ready to read 16,000,000 atoms! But I have added a new option that lets you load some smaller number of biomolecule transformations. Looks like we'll have to let Rolf open that one for us ;)

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Robert Hanson
Wow, thanks, Rolf. I thought perhaps you could do that! Oh, so close! First, write PNG just sends the image to your clipboard as an actual system-dependent image since you didn't specify a file name. So it was trying to create that when the error occurred. I'm guessing that happened not because

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Rolf Huehne
On 04/07/2010 02:10 PM, Robert Hanson wrote: Wow, thanks, Rolf. I thought perhaps you could do that! Oh, so close! First, write PNG just sends the image to your clipboard as an actual system-dependent image since you didn't specify a file name. So it was trying to create that when the

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Robert Hanson
Rolf, I think what's happening is that the image is too complex. There is a 2-second timeout on the refreshing request, and that is done right before the image is created. So in general, displays take less than 2 seconds, and we have no problem. But if a display takes more than 2 seconds, Jmol

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Charles Shubert
I'm confused by the 2400% CPU usage claimed below. Does this imply that 24 cores of a multicore machine are running at 100%? I have not been able to get Jmol to run on more than one core of my Mac 8 core machine. In looking at the source code for Jmol 11.8.not_too_long_ago there seems to be

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Rolf Huehne
On 04/07/2010 03:26 PM, Charles Shubert wrote: I'm confused by the 2400% CPU usage claimed below. Does this imply that 24 cores of a multicore machine are running at 100%? Actually there are 36 cores running at pulsating rates with a total average of 2400%. Unfortunately only until all the

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Robert Hanson
On Wed, Apr 7, 2010 at 8:26 AM, Charles Shubert cshub...@mit.edu wrote: I'm confused by the 2400% CPU usage claimed below. Does this imply that 24 cores of a multicore machine are running at 100%? I have not been able to get Jmol to run on more than one core of my Mac 8 core machine. In

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Charles Shubert
The users of my app have a variety of machines, so I may have to wait until GPU programming languages settle down a bit more before launching into this space. Most of the users, however, do have at least dual core machines. Yes, surfaces would be the place where this could be very helpful.

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Rolf Huehne
On 04/07/2010 05:37 PM, Robert Hanson wrote: On Wed, Apr 7, 2010 at 8:26 AM, Charles Shubert cshub...@mit.edu wrote: I'm confused by the 2400% CPU usage claimed below. Does this imply that 24 cores of a multicore machine are running at 100%? I have not been able to get Jmol to run on more

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Charles Shubert
I'm not surprised about this. The multi-threading in loading the file probably is in either Java's file handling or the operating system's file system. Most non-gaming higher level software with a modern user interface really doesn't do enough intensive computation to justify making the

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Robert Hanson
Which version of Jmol does creating isosurfaces progressively? I may have a little time next week to take a look at the code. Jmol 11.9 -- aka 12.0.RCx We have a couple of interfaces, and I could give you a quick rundown, but not on the users list, probably. I'll send you a note off-list Bob

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Egon Willighagen
Bob, On Wed, Apr 7, 2010 at 5:37 PM, Robert Hanson hans...@stolaf.edu wrote: I'm sure there is. And if VMD is any example, the use of GPUs would vastly increase performance. It would be a great project for someone to explore. Since I know nothing about parallel processing, I'm not the one to

Re: [Jmol-users] Jmol -- two major advances

2010-04-07 Thread Robert Hanson
On Wed, Apr 7, 2010 at 12:43 PM, Egon Willighagen egon.willigha...@gmail.com wrote: Bob, On Wed, Apr 7, 2010 at 5:37 PM, Robert Hanson hans...@stolaf.edu wrote: I'm sure there is. And if VMD is any example, the use of GPUs would vastly increase performance. It would be a great project

[Jmol-users] Live 3D Jmol in PDF files

2010-04-07 Thread Robert Hanson
At various times there has been lively discussion on this list about the prospects of having live 3D Jmol in PDF files. No, it's still not possible. But I thought I would put together a little PDF that shows that you don't need to have that capability to do effectively the same thing (at least on

Re: [Jmol-users] Live 3D Jmol in PDF files

2010-04-07 Thread Jan Halborg Jensen
Bob, Very interesting. I quite agree that pdf files with U3D become very big very fast. It seems to me this would also work for a downloaded pdf file if you included the full path in the link? I.e. if I open the downloaded pdf in a browser, shouldn't clicking on the picture take me to your