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Posts
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Select a subset of atoms from a trajectory file with MDanalysis
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Generate jekyll site locally and push source file and static web site to github
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Get a progress bar for a process in shell with pv -- Pipe Viewer --
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Extract a subset of frames from a DCD trajectory file with MDAnalysis
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Compute native contacts ratio from a dcd trajectory file with MD-Analysis
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Compute theoretical SAXS profile for each frame of a dcd format trajectory and the corresponding Chi value from experimental data
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Coding style: highlight text that goes over the 80 column limit in vim
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`Argument list too long` error with GNU parallel
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Align dcd trajectory with MDAnalysis
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Split a multi model pdb from shell
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