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. Author manuscript; available in PMC: 2015 Jan 28.
Published in final edited form as: Pac Symp Biocomput. 2010:240–251. doi: 10.1142/9789814295291_0026

Fig. 3.

Fig. 3

Segment of a BPTI molecule and its associated Hessian entries. Here, for illustration, a block is defined by one residue. Each residue corresponds to a Hessian block containing all of the forces within the residue, denoted ‘Full’. Adjacent residues have a corresponding electrostatic block denoted ‘Elec.’, e.g. Elec. 13-14. Physically local residues within the cutoff distance have a corresponding electrostatic block, e.g. Elec. 13-38. Bonds connecting non-adjacent residues, such as the disulfide bonds shown, correspond to small 3×3 blocks in the Hessian.