# build.hess: Construct the Hessian Matrix In BioPhysConnectoR: BioPhysConnectoR

## Description

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

## Usage

 1 build.hess(cm, im, deltas) 

## Arguments

 cm contact map im interaction map deltas list of difference matrices computed with build.contacts

## Details

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.

## Value

Return value is the Hessian Matrix.

## Author(s)

Franziska Hoffgaard

## References

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

build.interact, build.contacts