Hello,

Brandon Hespenheide wrote:

Hi,

I’ve been looking through the archive for a way around concatenating files (PDB format) in order to utilize the animation command in a jmol script. We have software that can explore conformational motion in proteins. Generally, 10-100 unique conformations can be produced, it depends on the user input. These files are then made available for download and further analysis by the user. I would like to display a movie of the conformational motion, but I do not want to have to create an additional PDB file that is simply a cat’ed version of all the other output files, as this will essentially double the amount of space each run requires.

Does anyone know if it is possible with scripting to load each of my conformers sequentially, and then display them as an animation? A results similar to the anim command would be desirable. Otherwise, I think we’ll need to hack something with php and rpc in order to dynamically create and destroy a concatenated file for viewing.

At the time being, it's not possible to load several files in Jmol (no script, no menu, ...).
The best option available is loading a concatenated file.

I am thinking of a new feature that would probably help you : adding a new file format to Jmol that would only contains a list of other files to load. If you open a file like that with Jmol, it would be as if you have loaded all the files listed.
Would this feature work for you ?
Would anybody else would be interested ?

A potential drawback could be performance : instead of opening one URL, Jmol will have to open several URLs to load the files.
It may put more load on the web server and slow load time.

I will have a look at implementing this feature in Jmol.
I am not completely sure that it is easily feasible, so I make no guarantee as whether or not I will manage to do it. If it happens to be really easy, I may be able to finish before going on holidays saturday.

Nicolas




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