Csp3 Bond Rotation

Additionally, the torsional minima for the rotatable bonds in DHA are very broad. Results of the biased sampling phase from conformational memories (CM) calculations of AA are consistent with all of these results (Bamett-Norris et al., 1998), as they reveal a relatively broad distribution of populated torsional space about the classic skew angles of -119°(s ) and 119°(s) for the 

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Figure 2. Rotational profiles of (R,R)-tartanic acid and its derivaties (a) Rotation around the Cgp3-Csp3 bond and (b) rotation around the Csp3—Gsp2 bond. X = NH2 or N(CH3)2.

The number of bonds which allow free rotation around themselves [Bath et al, 1995]. For example, the number of Csp3 - Csp3 bonds in the molecule. In automatic conformational analysis, methyl groups are often not included in rotatable bonds. 

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