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Import trajectories from PDB files #1524

@joerivan

Description

@joerivan

It could be a good add if Avogadro could import trajectories from PDB files. The old Avogadro had this feature, but it does not seem present/working in Avogadro 2.

Similar to loading a 'normal' PDB file, the feature should allow the user the drag and drop a PDB file into Avogadro, and Avogadro should read the PDB file, where each geometry that is separated by an ENDMDL1 should be imported as a separate frame.

Switching between the frames should then be possible (as normal) via the Animation Tool.

An alternative would be to import with a separate tool/menu. For example, adding an option to import trajectories inside of the Animation Tool (specific for PDB files). I believe that the first suggestion would be more user-friendly.

Footnotes

  1. In PDB files coordinates are read until either the file ends or the keyword ENDMDL is encountered. Using this, a PDB file can be used as a trajectory format. The different steps are then separated by an ENDMDL.

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