> Specifically I want to take as input a protein pdb file, and a small molecule
> as sdf input, then output a pdb containing both structures.
That's pretty easy:
from openbabel import pybel
protein = next(pybel.readfile("pdb", "filename.pdb"))
print(len(protein.atoms))
small = pybel.readfile("
Using the command line it is possible to join (using -j) multiple input files
into a single output file.
Is it possible do this using Openbabel in a python jupyter notebook?
Specifically I want to take as input a protein pdb file, and a small molecule
as sdf input, then output a pdb containing
