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GINGER - Graph Internal-coordinate Neural-network conformer Generator with Energy Refinement Demo Page
C
N
O
F
P
S
H
[..]
Hydrogen Count
any
0
1
2
3
Heavy Count
any
1
2
3
Ring Count
any
0
1
2
3
Kekule
-/+
13
C
T
⇒
Auto charge at 7 pH
Max number of conformations:
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