From: Bob H. <ha...@st...> - 2006-06-15 15:10:15
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ah, that makes sense. So you suggest that when one is being explicit like this, regardless of the setting of set measureAllModels, one should see only that single specified measurement. It's an interesting challenge to make that work. I'll think about it... Bob jm...@da... wrote: >Bob, > >Yes, I see all of the below with 'set measureAllModels OFF', >and it is all good and useful. >Allowing the display of arbritary frames >with frame set x,y as you suggest is also a good idea. > >But I was talking about what happens with measurements between frames >when 'set measureAllModels ON'. > >Look at what happens when you go > >set measureAllModels ON >measure (atomno=1 and */1) (atomno=3 and */10) >show measurements > >All the created measurements are intra-frame between >atom 1 and atom 3, i.e. identical to >what you would get with >measure (atomno=1) (atomno=3) > >I was just suggesting that someone might want instead to get >Measurement Information >distance ?? ?? C 1/1 #1 C 3/1 #3 >distance ?? ?? C 1/1 #1 C 3/2 #3 >distance ?? ?? C 1/1 #1 C 3/3 #3 >.... >distance ?? ?? C 1/1 #1 C 3/n #3 > >for all n frames. > > >Again, no big deal, just an idea. > >Thanks, > >Dave > > >On Thu, 15 Jun 2006 07:51:38 -0500, "Bob Hanson" <ha...@st...> >said: > > >>Dave, >> >>Ah, good. Glad to hear that. Measuring between frames is possible, even >>in 10.2. >>You should at least see your measurement table updating, even if you >>don't see it on screen. >>Here's what I see using cyclohexane_movie.xyz: >> >>frame 1; #just one model visible >>measure (atomno=1 and */1) (atomno=3 and */10) >>measure (atomno=1 and */1) (atomno=3 and */11) >>measure (atomno=1 and */1) (atomno=3 and */21) >>show measurements >> >>Measurement Information >>distance 2.6147435 0.261 nm C 1/1 #1 C 3/10 #3 >>distance 2.6083157 0.261 nm C 1/1 #1 C 3/11 #3 >>distance 2.479709 0.248 nm C 1/1 #1 C 3/21 #3 >> >>I don't see any measure marked on the model until I display two models >>having connecting measures. >> >>So: >> >>frame 1 #nothing >>frame 10 #nothing >>frame range 10 11; frame 0 #nothing >>frame range 1 10; frame 0 #now I see that first measure >> >>If this doesn't work for you, I don't know.... >> >>Do you think the following would be useful? >> >>frame set 10,11; frame 0 #just displays frames 10 and 11 >>frame set 1,2,4-6; frame 0 #just displays frames 1, 2, 4, 5, and 6 >> >>? >> >>I think that would be pretty simple to add. >> >> >>Bob >> >>jm...@da... wrote: >> >> >> >>>(relates to 10.x) >>> >>>Bob, >>> >>>I've tested all the operations I need and >>>any others I can think of, and it works very well. >>>Thank you, I'm impressed by the quick work >>>and I hope it benefits other users too. >>> >>>One more suggestion is for measurements across >>>frames. >>>If 'set measureAllModels ON' is on, >>>currently >>> >>>measure (atomno=1 and */1) (atomno=1 and */2) >>> >>>does nothing (I think). I think it might be nice >>>if it created a measurement between atom 1 in frame 1 >>>and atom 1 in all other frames, so you could >>>immediately track the motion of an atom across all frames. >>>Not essential for anything I'm doing myself, just a >>>thought for others to comment on. >>> >>>Thanks again, >>> >>> >>>Dave >>> >>> >>> |