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. Author manuscript; available in PMC: 2013 Apr 17.
Published in final edited form as: IEEE/ACM Trans Comput Biol Bioinform. 2011 Oct 17:10.1109/TCBB.2011.141. doi: 10.1109/TCBB.2011.141

Fig. 2.

Fig. 2

Reconstruction sequence for hydrogen atoms of the following categories: sp3H1, sp3H2, sp3H3, sp2H1, sp2H2, and spH1. Note: black circles represent the atomistic site that has been reconstructed, while red ones are the ones being reconstructed. Parameters, such as bond distance (b), bond angle (θ), dihedral angle (ϕ), being used for the reconstruction are also illustrated.