Doubt about command-line wrapper function padeldescriptor

[denisnpg]

Hi! I'm kinda new in the programming world and I have a doubt about how to use the command-line wrapper function.

So I have a .txt with a bunch of SMILES and I want to calculate their 2D descriptors, so how should I use the padeldescriptor function so I only calculate the 2D? Because by default I get all 1875 descriptors.

I wrote something like this:

Thanks!

[denisnpg]

I was reading the closed issues and found the answer here Can not apply with .smi file (~4000 cps) #25

Finally I wrote

padeldescriptor(mol_dir= 'smiles.smi', d_file='descriptors.csv', d_2d=True, d_3d=False, retainorder=True)

smiles.smi it's a file with all the smiles

and it worked