Greetings, When I call the GetNextFragment() function in a python script as follows: from openbabel import OBMol, OBConversionimport openbabel conv = OBConversion()conv.SetInAndOutFormats("xyz", "xyz")mol = OBMol()conv.ReadFile(mol,'./t1.xyz')newmol = OBMol()iter = openbabel.OBMolAtomDFSIter(mol)p
Dear All,
Greetings!
What I want to do is to combine two molecules.
I tried to combine two OBMol objects together, to obtain an OBMol object which
contains the coordinates of the two molecules.
After checking the class reference of openbabel, I found OBMoleculeFormat. When
I import it from op
Greetings,
I'm sorry for the bad formatting of the previous email.
When I call the GetNextFragment() function in a python script as follows:
from openbabel import OBMol, OBConversion
import openbabel
conv = OBConversion()
conv.SetInAndOutFormats("xyz", "xyz")
mol = OBMol()
conv.ReadFile(mol,'./
