Dear Victor,
I have tested this on the latest RDKit trunk code and it does not
segfault; I believe this is the same bug described here:
https://github.com/rdkit/rdkit/issues/3048
and it is already fixed.
Cheers,
p.
On 29/04/2020 17:24, victor viterbo via Rdkit-discuss wrote:
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
0.3053 3.6659 0.0544 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1542 2.5093 0.0748 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5618 2.3423 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4179 1.3007 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 0.8529 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9320 -0.5143 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8664 -1.4626 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4354 -1.0479 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6211 0.3406 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8191 1.0230 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0437 0.2952 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9565 -1.0485 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 -1.8573 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3058 -1.0642 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5605 -2.2494 0.4147 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2582 -0.1354 0.3501 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5743 1.5404 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1370 -2.5054 0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9845 0.8147 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8648 -1.6307 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7515 -2.4890 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1452 -0.5339 0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6720 -2.5533 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
14 6 1 0
15 14 2 0
16 14 1 0
17 5 1 0
18 7 1 0
19 11 1 0
20 12 1 0
21 13 1 0
22 16 1 0
23 13 1 0
3 10 1 0
4 2 1 0
2 3 1 0
10 9 1 0
8 13 1 0
13 12 1 0
12 11 1 0
9 4 4 0
5 6 4 0
7 8 4 0
4 5 4 0
6 7 4 0
8 9 4 0
10 11 2 0
V 1 O
M END
$$$$
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