Bond Conformation evaluator to grade chemistry answers

Updated 30 Aug 2024

The Bond Conformation answer evaluator (expressionOchemEvalConformBond) checks the relative orientation of two groups, one on each atom of the C–C bond that derives from the original ethane template.

The Bond Conformation evaluator works with the skeletal answer type.

Select Grade as Correct or Grade as Incorrect, then enter the conditions you want to be checked in student answers.
Enter one or two group names for the Bond Conformation evaluator to analyze, whether the name is a:
- Shortcut group name that Marvin JS recognizes when you type it, such as Me, iBu, or OPh.
- SMILES definition, such as O (for OH), Br, or CC(CI)CC (for iPr) with numerals and no bound H atoms. In the last case, the first atom in the string is assumed to be attached to the ring. Omit H atoms in SMILES representations. For example, an OH group should be written as O.

Select an “if” condition in the last box.

"If" conditions

Condition	Description
anti	Staggered conform with bulky groups separated by 180 degrees.
gauche	Staggered conform with bulky groups separated by 60 degrees.
staggered	The formation with a dihedral angle equal to 60 degrees.
eclipsed	The formation with a dihedral angle equal to zero degrees.
notAnti	Does not contain the staggered conform with bulky groups separated by 180 degrees.
notGauche	Does not contain the staggered conform with bulky groups separated by 60 degrees.
notStaggered	Does not contain the formation with a dihedral angle equal to 60 degrees.
notEclipsed	Does not contain the formation with a dihedral angle equal to zero degrees.