Energy minimization program by molecular mechanic
In the current version of the program, the PDB file with coordinates of atoms in a protein in the input data. The coordinates may be retrieved from the file or PDB database. For computation, indicate the chain identifier, given in the PDB file.
The program automatically prepares the file with topology of the molecule, containing AMBER force field parameters. The program uses this file in further calculations of molecular mechanical minimization. A standard AMBER and/or user topology database of individual residues is used for creating this topology file. AMBER parameters file is used for determining the constants of potential energy function, such as equilibrium bond lengths, angles, dihedral angles, their force constants, non-bonded 6-12 parameters, and H-bond 10-12 parameters.
Program is provided with viewer.