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rdkit to_smiles() error message for TS structures #75

@jandestrada

Description

@jandestrada

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!!!!

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