I think I understand. You have a set of models, each in a different PDB
file, which together represent a set of trajectories -- meaning there is a
1:1 homology between atoms in one model to the next.
The very simplest way to load these as a trajectory is to concatenate the
files into one large file, then read that file as a trajectory. You can
still select specific models from that file to load or just load the whole
thing.
Is that perhaps all you need?
Bob
On Fri, Mar 19, 2010 at 6:59 AM, Andrew R Turner <[email protected]>wrote:
>
> Hi Angel,
>
> I probably was not very clear. As I understand it, when you use:
>
> load TRAJECTORY file
>
> you get one set of atoms and 'number-of-frames' sets of coordinates
> (one set of coordinates for each model/frame in the file).
>
> All my files will have one model in them. What I want to do is have:
>
> load file
>
> to get the initial atom set and initial coordinates. Then have a loop:
>
> for i=1, nframe
> load file(i)
> end
>
> that appends just the coordinates to the data that is already loaded
> without creating a new atom set. (This is essentially splitting up the
> "load TRAJECTORY file" command into its component parts.)
>
> set appendNew false
>
> will not help me I do not think as it will add new frames (which is
> what I want to be able to animate the trajectory), it will just append
> the atoms in the appended file to the current frame.
>
> Cheers
> Andy
>
> Quoting Angel Herráez <[email protected]>:
>
> > Hi Andy
> >
> > I'm not sure I understand what you mean by adding a trajectory point
> > (I haven't worked with
> > trajectories), but regarding the addition of atoms without
> > generating new frame/model, there
> > is
> >
> > set appendNew false
> >
> > Don't know if that would fix the slowness.
> >
> >
> >
> >
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>
>
> ==========================================
> Dr Andrew R. Turner
> e: [email protected]
> t: +44 (0)131 651 3578
> p: EPCC, University of Edinburgh EH9 3JZ
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--
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Professor of Chemistry
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