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Application of technique time-lagged independent component analysis (TICA) #21

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Wencesgiovanni opened this issue Aug 26, 2023 · 1 comment

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@Wencesgiovanni
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I am trying to apply TICA to reduce dimensions to some data:

reader = pyemma.coordinates.source(files, top=pdb) # create reader
reader.featurizer.add_backbone_torsions(periodic=False) # add feature
tica = pyemma.coordinates.tica(reader) # perform tica on feature space

however I get an error and the following legend.

mdtraj\formats\xtc\xtc.pyx in mdtraj.formats.xtc.XTCTrajectoryFile._read()

RuntimeError: XTC read error: Compressed 3d coordinate

What would be the reason? please any suggestion

@clonker
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clonker commented Sep 9, 2023

mdtraj can't load your data - are you use it's not corrupt? perhaps try a different mdtraj version?

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