TypeError: 'float' object is not subscriptable

Greetings.

Here are the codes:

prot1 = u.atoms.select_atoms("resid 11")
prot2 = u.atoms.select_atoms("protein")

fp = plf.Fingerprint(['HBDonor', 'HBAcceptor', 'PiStacking', 'Anionic', 'Cationic', 'CationPi', 'PiCation'])
fp.run(u.trajectory[:2], prot1, prot2)
print(fp.ifp)
df = fp.to_dataframe(dtype=np.uint8)
print(df)

+ The outputs look good:

However, if I just change fp.run(u.trajectory[:2], prot1, prot2) to fp.run(u.trajectory[:3], prot1, prot2),

- the programm will raise an error::

Thanks for your attention.

pineapple

[pineappleK]

😃 Thanks, it works but with a little error.

- fp.run(u.trajectory[i], lig, prot, progress=False)
+ fp.run(u.trajectory[i: (i+1)], lig, prot, progress=False)

or it will give you an error:

AttributeError: 'numpy.ndarray' object has no attribute 'frame'

Best wishes,

pineapple 🍍

[cbouy]

Mmh it’s strange I just reinstalled it without any problem on my side.

Are you installing in a clean conda environment ? What version of python and pip are you using ? Also, can you try this:

pip install -U pip setuptools
conda update -c conda-forge ca-certificates

And then uninstall prolif and reinstall ?

Thanks, Cedric