//Flag true only CA will be readed
public MolData(string fileName,PDBMODE flag,INPUTMODE mode,CHAIN_MODE chainFlag=CHAIN_MODE.SINGLE)
{
using (StreamReader rr = new StreamReader(fileName)) {
switch (mode)
{
case INPUTMODE.PROTEIN:
mol = new Molecule( flag,chainFlag);
break;
case INPUTMODE.RNA:
mol = new MoleculeRNA(flag);
break;
}
bool res = mol.ReadMolecule(rr);
if (!res)
return;
if (mol.Chains.Count == 0)
{
ErrorBase.AddErrors("Error in reading file: " + fileName + "\nCannot find residues, file will not be considered!");
rr.Close();
return;
}
molLength = mol.Chains[0].chainSequence.Length;
}
//CenterMol();
}
//Flag true only CA will be readed
public MolData(string fileName, PDBMODE flag, INPUTMODE mode, CHAIN_MODE chainFlag = CHAIN_MODE.SINGLE)
{
using (StreamReader rr = new StreamReader(fileName)) {
switch (mode)
{
case INPUTMODE.PROTEIN:
mol = new Molecule(flag, chainFlag);
break;
case INPUTMODE.RNA:
mol = new MoleculeRNA(flag);
break;
}
bool res = mol.ReadMolecule(rr);
if (!res)
{
return;
}
if (mol.Chains.Count == 0)
{
ErrorBase.AddErrors("Error in reading file: " + fileName + "\nCannot find residues, file will not be considered!");
rr.Close();
return;
}
molLength = mol.Chains[0].chainSequence.Length;
}
//CenterMol();
}
public bool ReadMolData(MemoryStream stream, PDBMODE flag,string modelName)
{
StreamReader rr = new StreamReader(stream);
mol = new Molecule(flag);
bool res = mol.ReadMolecule(rr);
if (!res)
{
return false;
}
if (mol.Chains.Count == 0)
{
ErrorBase.AddErrors("Error in reading file: " + modelName + "\nCannot find residues, file will not be considered!");
return false;
}
molLength = mol.Chains[0].chainSequence.Length;
return true;
//CenterMol();
}
public bool ReadMolData(MemoryStream stream, PDBMODE flag, string modelName)
{
StreamReader rr = new StreamReader(stream);
mol = new Molecule(flag);
bool res = mol.ReadMolecule(rr);
if (!res)
{
return(false);
}
if (mol.Chains.Count == 0)
{
ErrorBase.AddErrors("Error in reading file: " + modelName + "\nCannot find residues, file will not be considered!");
return(false);
}
molLength = mol.Chains[0].chainSequence.Length;
return(true);
//CenterMol();
}