/Users/bernard/b20/bsoft/src/mol Directory Reference(3)

NAME
/Users/bernard/b20/bsoft/src/mol Directory Reference

SYNOPSIS

  Files
file mol_alpha.cpp
Functions to make and analyze alpha helices.
file mol_bonds.cpp
Functions for molecular dynamics.
file mol_compare.cpp
Library routines used to compare sets of atomic coordinates.
file mol_edit.cpp
Library routines used for atomic coordinates.
file mol_map_energy.cpp
Functions to calculate estimates of the fitting of molecules to maps.
file mol_md.cpp
Functions for molecular dynamics.
file mol_monte.cpp
Functions for a monte carlo metroplis algorithm to energy minimize molecular positions.
file mol_param.cpp
Functions to extract parameters from coordinate files.
file mol_select.cpp
Library routines to select atomic coordinates.
file mol_symmetry.cpp
Library routines used for symmetry operations on atomic coordinates.
file mol_transform.cpp
Library routines used for atomic coordinate transformations.
file mol_util.cpp
Library routines used for atomic coordinates.
file mol_water.cpp
Generating and managing water.
file molecule_to_map.cpp
Functions to calculate a 3D map from atomic coordinates.
file seq_align.cpp
Library routines to generate and analyze dot plots.
file seq_analysis.cpp
Analysis of protein sequences.
file seq_util.cpp
Sequence utility functions.