Hello all,
I've been having problems installing RDKit for python in Ubuntu.
The installation guide simply states to run: "sudo apt-get install
python-rdkit librdkit1 rdkit-data".
I've done this but when I run a python with "from rdkit import Chem"
it says that "ImportError: No module named
Hello All,
I'm trying to make a function to check if a mol has an atom that is part of
two small rings (3 or 4 atoms). Using GetRingInfo()/NumAtomRings() I can
find out how many ring systems each atom is in, but not the details of the
rings. atom.IsInRingSize(size) returns a bool so I couldn't
Awesome! Thank you all so much!!!
Here is my implementation of the function for reference:
def passed_NA2SR(mol): #no atom shared by two small rings
rings = mol.GetRingInfo().AtomRings()
small_rings = []
for ring in rings:
if len(ring) < 5:
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