how to export hydrophic inteactions and salt bridge between the pairs ?.

maxscheurer / pycontact

Analysis of non-covalent interactions in MD trajectories

https://pycontact.github.io/

GNU General Public License v3.0

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how to export hydrophic inteactions and salt bridge between the pairs ?. #100

Open vas2201 opened 2 weeks ago

vas2201 commented 2 weeks ago

I see that we can export the hydrogen bond analysis after the job finishes. Is there a way to also export the hydrophobic interactions and salt-bridge occupancy as a plain text file?. Vas