Multicore trajectory loading

maxscheurer / pycontact

Analysis of non-covalent interactions in MD trajectories

https://pycontact.github.io/

GNU General Public License v3.0

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Multicore trajectory loading #6

Closed maxscheurer closed 7 years ago

maxscheurer commented 7 years ago

The code is there in principle, but we need to write the input properties to the ContactAnalyzer Class, so that if saving the session, we have all the infos in place...

maxscheurer commented 7 years ago

[x] updating selection every frame if around

maxscheurer commented 7 years ago

Neede some workaround with numpy arrays, but it works now!