Pteros  2.0
Molecular modeling library for human beings!
pteros::GNM Class Reference

Implementation of the Gaussian Network Model (GNM) protein model. More...

#include <gnm.h>

Public Member Functions

 GNM (Selection &sel, float cutoff)
 
void compute (Selection &sel, float cutoff)
 
void write_eigenvectors (std::string fname, int v1, int v2)
 
void compute_c_matrix (bool normalize=false)
 
void compute_p_matrix ()
 
void write_c_matrix (std::string fname)
 
void write_p_matrix (std::string fname)
 

Public Attributes

Eigen::MatrixXf eigenvectors
 
Eigen::VectorXf eigenvalues
 
Eigen::MatrixXf c
 
Eigen::MatrixXf p
 

Detailed Description

Implementation of the Gaussian Network Model (GNM) protein model.


The documentation for this class was generated from the following files: