Exporting contact data from script

maxscheurer / pycontact

Analysis of non-covalent interactions in MD trajectories

https://pycontact.github.io/

GNU General Public License v3.0

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Exporting contact data from script #52

Open RasmusFonseca opened 6 years ago

RasmusFonseca commented 6 years ago

Currently it seems only to be possible to save a session from the script (job.writeSessionToFile()). Would it be possible to add a job.writeContactDataToFile() or similar to avoid having to generate a large session file and open up the gui?