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object --+ | Mindist
The Mindist class allows analysis of the output from ``g_dist -dist CUTOFF``. Output is read from a file or stream. The raw data is transformed into a true 'mindist' time series (available in the :attr:`Mindist.distances` attribute): for each frame only the shortest distance is stored (whereas ``g_dist`` provides *all* distances below the cutoff). :TODO: * Save analysis to pickle or data files. * Export data as simple data files for plotting in other programs. .. Note:: :class:`gromacs.tools.G_mindist` is apparently providing exactly the service that is required: a timeseries of the minimum distance between two groups. Feel free to use that tool instead :-).
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hist Histogram of the minimum distances. |
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dist Distribution of the minimum distances. |
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edges Edges of the histogram of the minimum distances. |
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midpoints Midpoints of the histogram of the minimum distances. |
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Inherited from |
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Arguments:
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Returns a distribution or histogram of the minimum distances: If no values for the bin edges are given then they are set to 0.1 below and 0.1 above the minimum and maximum values seen in the data. If the number of bins is not provided then it is set so that on average 100 counts come to a bin. Set nbins manually if the histogram only contains a single bin (and then get more data)! Keywords:
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Plot histograms with matplotlib's plot() function:: plot(**histogramargs, **plotargs) Arguments for both :meth:`Mindist.histogram` and :func:`pylab.plot` can be provided (qv). |
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histHistogram of the minimum distances.
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distDistribution of the minimum distances.
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edgesEdges of the histogram of the minimum distances.
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midpointsMidpoints of the histogram of the minimum distances.
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