pytraj
1.0.7
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Trajectory
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Modify trajectory
Atom mask selection
Fancy indexing of trajectory
Parallel calculation
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Developer guide for pytraj
Misc
Use conda to manage different Python versions
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Trajectory Viewer
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Note
syntax might be changed in future
API
pytraj
pytraj.all_actions
pytraj.io
pytraj.Trajectory
pytraj.TrajectoryIterator
pytraj.frame
pytraj.topology
pytraj.CpptrajState
pytraj.FrameIterator
pytraj.cluster
pytraj.nmr
pytraj.matrix
pytraj.vector
pytraj.hbond_analysis
pytraj.parallel
pytraj.core.c_core
pytraj.datasets
pytraj.energy_decomposition