Wilke:Bio3d

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(New page: [http://bio3d.pbworks.com/w/page/7824467/FrontPage Bio3d] is an R package for doing all kinds of structural manipulations and computations. It seems to not allow one to parse trajectories...)
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[http://bio3d.pbworks.com/w/page/7824467/FrontPage Bio3d] is an R package for doing all kinds of structural manipulations and computations.
[http://bio3d.pbworks.com/w/page/7824467/FrontPage Bio3d] is an R package for doing all kinds of structural manipulations and computations.
It seems to not allow one to parse trajectories frame-by-frame making analysis of large trajectories very difficult.  Fortunately, the R code to parse dcd files is simple enough that I developed a function to iterate over the frame, rather than loading the trajectory into memory.
It seems to not allow one to parse trajectories frame-by-frame making analysis of large trajectories very difficult.  Fortunately, the R code to parse dcd files is simple enough that I developed a function to iterate over the frame, rather than loading the trajectory into memory.

Revision as of 12:41, 21 February 2012

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Bio3d is an R package for doing all kinds of structural manipulations and computations.

It seems to not allow one to parse trajectories frame-by-frame making analysis of large trajectories very difficult. Fortunately, the R code to parse dcd files is simple enough that I developed a function to iterate over the frame, rather than loading the trajectory into memory.

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