Description Usage Arguments Details Value Author(s) References See Also

The Hessian matrix is computed using the interaction matrix, the contact map, and the coordinate differences.

1 | ```
build.hess(cm, im, deltas)
``` |

`cm` |
contact map |

`im` |
interaction map |

`deltas` |
list of difference matrices computed with |

For a sequence of length *n* a *3n \times 3n* matrix is computed. Only if amino acids are in contact (`cm`

entry equals *1*) values for the Hessian matrix are computed as proposed in Hamacher (2006). If amino acids are not in contact their respective matrix entries equal *0*. Values for amino acids in contact depend on coordinate differences and interaction strengths.

Return value is the Hessian Matrix.

Franziska Hoffgaard

Hamacher (2006) *Journal of Chemical Theory and Computation* 2, 873–878.

`build.interact`

, `build.contacts`

BioPhysConnectoR documentation built on May 30, 2017, 6:46 a.m.

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