C++ (Cpp) CMol::To_Fix_Dihedral Exemples

Exemple #1

Fichier : 1d_rotamer_fitting.cpp Projet : salotz/htmd

void To_Setup_All_Dihedral_Constraint(void)
{
	int i;

	Mol_ESP.nPhi_Fixed = 0;

	for(i=0; i<n_Phi; i++)	{
		Mol_ESP.To_Fix_Dihedral(DihList[i][0], DihList[i][1], DihList[i][2], DihList[i][3], 
			Mol_ESP.Query_Dihedral(DihList[i][0], DihList[i][1], DihList[i][2], DihList[i][3], 0, NULL));
	}
}