Is it possible to read partial charges contained in PubChem 3D SDF files using
MDLV2000 Reader ??
> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
29
1 -0.36
10 0.08
11 0.09
12 -0.15
13 -0.15
14 -0.15
15 0.08
16 -0.15
17 -0.15
18 -0.15
19 0.63
2 -0.53
20 0.28
21 0.15
22 0.15
23 0.15
24 0.15
25 0.15
26 0.15
27 0.15
28 0.45
3 -0.57
32 0.5
4 -0.65
5 -0.57
6 0.09
7 0.09
8 0.4
9 -0.15
Thanks.
Lochana
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