private void CreateResidues()
{
List<Residue> auxRes = new List<Residue>();
List<Atom> localAtoms = new List<Atom>();
//this.residues = new List<Residue>();
Residue residue = null;
foreach (Atom atom in this.atoms)
{
//if (residue == null || atom.ResidueSequenceNumber != residue.ResidueSequenceNumber||
if (residue == null || atom.tabParam[2] != residue.ResidueSequenceNumber ||
atom.tabParam[1] != residue.ChainIdentifier)
//atom.ChainIdentifier != residue.ChainIdentifier)
{
residue = new Residue(this, atom,flag);
auxRes.Add(residue);
}
else
{
bool test = false;
foreach(var item in residue.Atoms )
if (atom.AtomName == item.AtomName)
{
ErrorBase.AddErrors("Residue " + residue.ResidueName + " has two the same atoms " + atom.AtomName);
test = true;
}
if (!test)
residue.Atoms.Add(atom);
//residue.AddAtom(atom);
}
atom.tabParam = null;
}
this.residues = new List<Residue>(auxRes);
auxRes = null;
}
