Projections =========== Simulation trajectories have very large dimensionality not only in terms of number of frames but also for the intrinsic dimensionality of each frame made by all three-dimensional coordinates. It is therefore necessary to reduce this space by projecting these coordinates into a simpler space. HTMD provides many projection types, e.g. MetricCoordinate to only keep the coordinate of few atoms, or MetricDistance to keep the matrix distance between two sets of atoms. Contents: .. toctree:: :maxdepth: 1 MetricData - Storage for projected data Metric - Helper class for combining Metrics for projection MetricCoordinate - coordinates of an atom selection <../moleculekit/moleculekit.projections.metriccoordinate.rst> MetricDistance - (Self-)distance-based metrics between atoms selections <../moleculekit/moleculekit.projections.metricdistance.rst> MetricDihedral - Dihedral-based metrics <../moleculekit/moleculekit.projections.metricdihedral.rst> MetricRmsd - RMSD-based metric <../moleculekit/moleculekit.projections.metricrmsd.rst> MetricShell - occupancy of an atom selection (e.g. water) around another selection <../moleculekit/moleculekit.projections.metricshell.rst> MetricSecondaryStructure - secondary structure-based metric <../moleculekit/moleculekit.projections.metricsecondarystructure.rst> MetricPlumed2 - access all Plumed2 metrics (CVs) <../moleculekit/moleculekit.projections.metricplumed2.rst> MetricSasa - Solvent accessible surface area <../moleculekit/moleculekit.projections.metricsasa.rst> MetricTMscore - TMscore-based metric <../moleculekit/moleculekit.projections.metrictmscore.rst> MetricFluctuation - RMSF-based metric <../moleculekit/moleculekit.projections.metricfluctuation.rst>