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ADP axes has a problem too #1873

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jamesmkrieger opened this issue Apr 17, 2024 · 0 comments
Open

ADP axes has a problem too #1873

jamesmkrieger opened this issue Apr 17, 2024 · 0 comments

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@jamesmkrieger
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>>>-------------------------------------------------------------------------
Exception in /home/exx/ProDy-website/ProDy/prody/measure/measure.py:docstring of prody.measure.measure.calcADPAxes at block ending on line 49
Specify :okexcept: as an option in the ipython:: block to suppress this message

ValueErrorTraceback (most recent call last)
<ipython-input-4-5a7bd3de55e3> in <module>()
----> 1 adp_axes = calcADPAxes( calphas )

/home/exx/ProDy-website/ProDy/prody/measure/measure.pyc in calcADPAxes(atoms, **kwargs)
    730         # is selected
    731         vals = vals * sign((vecs * axes[(i-1)*3:(i)*3, :]).sum(0))
--> 732         axes[i*3:i*3, :] = vals * vecs
    733     # Resort the columns before returning array
    734     axes = axes[:, [2, 1, 0]]

ValueError: could not broadcast input array from shape (3,3) into shape (0,3)
<<<-------------------------------------------------------------------------

We need to figure out what it's supposed to do here still.

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