Hi, I am using pybel module in my python script to just display all the atom types. Below is simple script:
import pybel
lig="4J83_A.sdf"
for mol in pybel.readfile('sdf',lig):
for atom in mol :
print (atom.atomicnum, atom.type, atom.coords,atom.idx,atom.vector)
When I look at the output all the Hydrogens attached to N is also written as HC
instead of HN. Am I missing something here? Please let me know If there is
something wrong here.
Thanks,
Yatish
4J83_A.sdf
Description: 4J83_A.sdf
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