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maxscheurer / pycontact

Analysis of non-covalent interactions in MD trajectories
https://pycontact.github.io/
GNU General Public License v3.0
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Support for multiple file input formats #16

Closed maxscheurer closed 7 years ago

maxscheurer commented 7 years ago

We need to support any format for input that MDAnalysis also supports. This needs to be independent from wether only coordinates or also topologies are loaded (guess bonds etc...) .

maxscheurer commented 7 years ago

I created a simulation of Rpn11/Ubq in Gromacs and will test it if possible...

maxscheurer commented 7 years ago

Loading the Gromacs data works just fine!