Re: [Jmol-developers] MD trajectories for 11.7

2008-10-14 Thread Matthew Zwier
Hi Bob, Thanks for the replies! Sorry I haven't gotten back to you yet; I was out of town. By the way, the talk of these mysterious simulations of mine appears to be getting ever more murky, albeit in slight increments. If you're curious, I'm processing data from simulations as described in Ab

Re: [Jmol-developers] MD trajectories for 11.7

2008-10-14 Thread Robert Hanson
Matt, you are SO in luck. 1) You can define the array data, but it seems to me more appropriate just to define a starting point for each. Right? Something like this should do the job: # Jmol math here function runAnimation() frame * display none var timeStep = 10 #whatever var startTimes =

Re: [Jmol-developers] MD trajectories for 11.7

2008-10-11 Thread Robert Hanson
Matt, I did check this out more carefully, and I see now that there was a bug in Jmol for appended trajectories. It's fixed, but it's in Jmol 11.7.3, which has not been released yet. If you are interested in getting a look at this, take a look at

Re: [Jmol-developers] MD trajectories for 11.7

2008-10-09 Thread Robert Hanson
Matt, good to hear this! Comments below. - Bob On Wed, Oct 8, 2008 at 10:09 PM, Matthew Zwier [EMAIL PROTECTED] wrote: Hi all, A few days ago, Bob Hanson mentioned that improved support for display of MD trajectories is on the docket for 11.7. I'm interested in surveying the lay of the

Re: [Jmol-developers] MD trajectories for 11.7

2008-10-09 Thread Matthew Zwier
Hi Bob, On Thu, Oct 9, 2008 at 10:10 AM, Robert Hanson [EMAIL PROTECTED] wrote: Matt, good to hear this! Comments below. - Bob 1) Are there plans to support simultaneous display of multiple trajectories? The big issue is memory. Jmol can handle about 120,000 atoms (at least on my machine)

Re: [Jmol-developers] MD trajectories for 11.7

2008-10-09 Thread Robert Hanson
Hey, Matt, you might be in luck. On Thu, Oct 9, 2008 at 2:01 PM, Matthew Zwier [EMAIL PROTECTED] wrote: At least, I think you can Supposed to be able to. You are just limited to one trajectory step from EACH sequence loaded. I can't imagine why that would take any major amount of

[Jmol-developers] MD trajectories for 11.7

2008-10-08 Thread Matthew Zwier
Hi all, A few days ago, Bob Hanson mentioned that improved support for display of MD trajectories is on the docket for 11.7. I'm interested in surveying the lay of the land and possibly helping out with the coding for MD trajectory support. I have a couple questions/thoughts, mostly related to