Bond Angle
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Checker searches for bonds NOT matching the following rules:
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Triple bond angle 180° (± 0.5 rad):
check_angle1-
Double bond angle 120° or 180° (± 0.5 rad):
check_angle2-
sp2 atom's bond angles 120°:
check_angle3-
sp3 atom's bond angles 90°
or 3 bond angles 120°, 4th bond of an angle of n times 15°;
or a bond angle of 120° and two adjacent angles equal:
check_angle4 -
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Fixers:
offers cleaning the structure by:-
2D clean or (clean);
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partial clean (partialclean)
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Example :
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Bond Angle Checker (bondangle) |
Warning: |
Fix |
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Clean (clean) |
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Detect Bond Angle errors |
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The current version of bond angle checker examines chain bonds of 2D molecules. Envelope-shaped cyclic compounds are considered as error and partial clean is not available.