Bond Angle

• Checker searches for bonds NOT matching the following rules:

  * 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

• Fixers:

  offers cleaning the structure by:

  • 2D clean or (clean);

  • partial clean (partialclean)

  Example :

  Bond Angle Checker (bondangle)	Warning:	Fix
  		Clean (clean)
  Detect Bond Angle errors	ex_bondangle_ch	ex_bondangle_f

{primary} 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.