Hello!
RDKIT shows annoying error messages for some geometries, especially near transition states.
for_colton_error_struct.txt
!!! Warning !!! Distance between atoms 23 and 20 (0.978160 A) is suspicious.
!!! Warning !!! Distance between atoms 21 and 20 (0.977996 A) is suspicious.
!!! Warning !!! Distance between atoms 23 and 20 (0.978160 A) is suspicious.
Atoms:
0 6 C chg: 0 deg: 4 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
1 6 C chg: 0 deg: 4 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
2 6 C chg: 0 deg: 3 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
3 7 N chg: 0 deg: 2 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
4 8 O chg: 0 deg: 2 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
5 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
6 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
7 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
8 6 C chg: 0 deg: 4 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
9 6 C chg: 0 deg: 4 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
10 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
11 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
12 6 C chg: 0 deg: 4 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
13 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
14 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
15 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
16 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
17 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
18 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
19 8 O chg: 0 deg: 3 exp: N[/A](http://localhost:8080/A) imp: 0 hyb: rad: 1
20 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
21 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
22 1 H chg: 0 deg: 1 exp: N[/A](http://localhost:8080/A) imp: 0 hyb:
Bonds:
0 0->1 order: 1
1 0->12 order: 1
2 0->13 order: 1
3 0->14 order: 1
4 1->3 order: 1
5 1->5 order: 1
6 1->6 order: 1
7 2->3 order: 2
8 2->4 order: 1
9 2->8 order: 1
10 4->7 order: 1
11 8->9 order: 1
12 8->10 order: 1
13 8->11 order: 1
14 9->12 order: 1
15 9->15 order: 1
16 9->16 order: 1
17 12->17 order: 1
18 12->18 order: 1
19 19->20 order: 1
20 19->21 order: 1
21 19->22 order: 1```
Please help almighty colton!!!!
Hello!
RDKIT shows annoying error messages for some geometries, especially near transition states.
for_colton_error_struct.txt