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XYZ Files

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Wed, 09/14/2011 - 14:28
IHateNickNames
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I can see this has been discussed before (looks to me like 2008), but is there plans to add support for XYZ files. I'm a physicist and this is the primary format that we use.

More specifically, is it possible to support XYZ files that include separate frames for each timestep?

Thanks muchly in advance,

Barry.

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Tue, 09/20/2011 - 13:29
#1
Brad Larson
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Adding new file formats isn't too difficult (I added the SDF file format in the last major update to support PubChem), it's just that other things have taken priority. I'll move it up the list, but I can't promise any time for this because I haven't been able to work on this application much recently. It's a hobby project, so other things take precedence over it.

Different frames (like different structures within a single PDB file) is probably farther off as a feature to be included. It would require adding new user interface elements to support this capability, and designing such elements so they don't clutter the interface takes some time. I wouldn't wait for such a feature.

Of course, if you want to have these capabilities sooner, the source code for the application is available, and I'd be glad to integrate any contributions that others provide.

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