public static HessInfo GetHessSsNMA
(Universe univ
, IList <Vector> coords
, IEnumerable <Universe.Bond> bonds
, IEnumerable <Universe.Angle> angles
, IEnumerable <Universe.Improper> impropers
, IEnumerable <Universe.Dihedral> dihedrals
, IEnumerable <Universe.Nonbonded> nonbondeds
, IEnumerable <Universe.Nonbonded14> nonbonded14s
, double?maxAbsSpring = null
, double?K_r = 340.00
, double?K_theta = 45.00
, double?K_ub = 10.00
, double?K_psi = 70.00
, double?K_chi = 1.00
, double?n = 1
, string k_vdW = "Unif"
//, bool setNanForEmptyAtom // =true
)
{
bool vdW = true; // use vdW
bool elec = false; // ignore electrostatic
double D = double.PositiveInfinity; // dielectric constant for Tinker is "1"
bool ignNegSpr = true; // ignore negative spring (do not add the spring into hessian matrix)
//maxAbsSpring = Math.Pow(10, 9);
HessMatrix hess = null;
hess = STeM.GetHessBond(coords, bonds, K_r, hessian: hess);
hess = STeM.GetHessAngle(coords, angles, true, K_theta, K_ub, hessian: hess);
hess = STeM.GetHessImproper(coords, impropers, K_psi, hessian: hess, useArnaud96: true);
hess = STeM.GetHessDihedral(coords, dihedrals, K_chi, n, hessian: hess, useAbsSpr: true, useArnaud96: true);
hess = HessSpr.GetHessNonbond(coords, nonbondeds, D, k_vdW, hessian: hess, vdW: vdW, elec: elec, ignNegSpr: ignNegSpr, maxAbsSpring: maxAbsSpring);
hess = HessSpr.GetHessNonbond(coords, nonbonded14s, D, k_vdW, hessian: hess, vdW: vdW, elec: elec, ignNegSpr: ignNegSpr, maxAbsSpring: maxAbsSpring);
//if(setNanForEmptyAtom)
Hess.UpdateHessNaN(hess, coords);
return(new HessInfo
{
hess = hess,
mass = univ.GetMasses(),
atoms = univ.atoms.ToArray(),
coords = coords.HCloneVectors().ToArray(),
numZeroEigval = 6,
});
}
public static HessInfo GetHessEAnm
(Universe univ
, IList <Vector> coords
, IEnumerable <Tuple <int, int, double> > enumKij
, bool b_bonds
, bool b_angles
, bool b_impropers
, bool b_dihedrals
)
{
//bool vdW = true; // use vdW
//bool elec = false; // ignore electrostatic
//double D = double.PositiveInfinity; // dielectric constant for Tinker is "1"
//bool ignNegSpr = true; // ignore negative spring (do not add the spring into hessian matrix)
HessMatrix hess = null;
hess = Hess.GetHessAnm(coords, enumKij);
if (b_bonds)
{
hess = STeM.GetHessBond(coords, univ.bonds, 340.00, hessian: hess);
}
if (b_angles)
{
hess = STeM.GetHessAngle(coords, univ.angles, true, 45.00, 10.00, hessian: hess);
}
if (b_impropers)
{
hess = STeM.GetHessImproper(coords, univ.impropers, 70.00, hessian: hess, useArnaud96: true);
}
if (b_dihedrals)
{
hess = STeM.GetHessDihedral(coords, univ.dihedrals, 1.00, 1, hessian: hess, useAbsSpr: true, useArnaud96: true);
}
Hess.UpdateHessNaN(hess, coords);
return(new HessInfo
{
hess = hess,
mass = univ.GetMasses(),
atoms = univ.atoms.ToArray(),
coords = coords.HCloneVectors().ToArray(),
numZeroEigval = 6,
});
}
public static HessMatrix GetHess(Universe univ)
{
Vector[] coords = univ.GetCoords();
HessMatrix hessian_spr = HessMatrixSparse.ZerosSparse(univ.size * 3, univ.size * 3);
Universe.Nonbondeds_v1 nonbondeds = new Universe.Nonbondeds_v1(univ.atoms, univ.size, 12);
nonbondeds.UpdateNonbondeds(coords, 0);
hessian_spr = STeM.GetHessBond(coords, univ.bonds, null, hessian: hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr with bond"));
hessian_spr = STeM.GetHessAngle(coords, univ.angles, true, null, null, hessian: hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr with angle"));
hessian_spr = STeM.GetHessImproper(coords, univ.impropers, null, hessian: hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr with improper"));
hessian_spr = STeM.GetHessDihedral(coords, univ.dihedrals, null, null, hessian: hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr with dihedral"));
hessian_spr = STeM.GetHessVdw(coords, univ.nonbonded14s.GetEnumerable(), null, null, hessian: hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr with vdw14"));
hessian_spr = STeM.GetHessElec(coords, univ.nonbonded14s.GetEnumerable(), hessian: hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr with elec14"));
hessian_spr = STeM.GetHessVdw(coords, nonbondeds.GetEnumerable(), null, null, hessian: hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr with vdw"));
hessian_spr = STeM.GetHessElec(coords, nonbondeds.GetEnumerable(), hessian: hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr with elec"));
//hessian_spr = GetHessSprElec(coords, nonbondeds , hessian: hessian_spr); Debug.Verify(Hess.CheckHessDiag(hessian_spr));
//hessian_spr = GetHessSprVdw(coords, nonbondeds , hessian: hessian_spr); Debug.Verify(Hess.CheckHessDiag(hessian_spr));
hessian_spr = Hess.CorrectHessDiag(hessian_spr); HDebug.Verify(Hess.CheckHessDiag(hessian_spr, 0.000001, "non-computable exception while generating STeM hess_spr"));
return(hessian_spr);
}
public static Matrix GetHessStem(IList <Vector> coords)
{
return(STeM.GetHessCa(coords));
}
public static HessInfo GetHessSbNMA
(Universe univ
, IList <Vector> coords
, double nbondMaxDist // =12
, double?maxAbsSpring
, bool b_bonds
, bool b_angles
, bool b_impropers
, bool b_dihedrals
, bool b_nonbondeds
, bool b_nonbonded14s
, double?sca_bonds
, double?sca_angles
, double?sca_impropers
, double?sca_dihedrals
, double?sca_nonbondeds
, double?sca_nonbonded14s
, Action <Universe.Atom, Vector, Universe.Atom, Vector, double> collectorBond
, Action <Universe.Atom, Vector, Universe.Atom, Vector, Universe.Atom, Vector, double, double> collectorAngle
, Action <Universe.Atom, Vector, Universe.Atom, Vector, Universe.Atom, Vector, Universe.Atom, Vector, double, double> collectorImproper
, Action <Universe.Atom, Vector, Universe.Atom, Vector, Universe.Atom, Vector, Universe.Atom, Vector, double, double> collectorDihedral
, Action <Universe.Atom, Vector, Universe.Atom, Vector, double> collectorNonbonded
, Action <Universe.Atom, Vector, Universe.Atom, Vector, double> collectorNonbonded14
, Func <HessSpr.CustomKijInfo, double> GetCustomKij = null
, params string[] options
)
{
IEnumerable <Universe.Nonbonded> nonbondeds = null;
IEnumerable <Universe.Nonbonded14> nonbonded14s = univ.nonbonded14s.GetEnumerable();
if (options.Contains("TIP3P: tetrahedral hydrogen bonds"))
{
nonbondeds = EnumNonbondeds(univ.atoms, coords, univ.size, nbondMaxDist, ListTip3pTetraHBond, options);
}
else if (options.Contains("TIP3P: near waters"))
{
nonbondeds = EnumNonbondeds(univ.atoms, coords, univ.size, nbondMaxDist, ListTip3pNears, options);
}
else
{
nonbondeds = EnumNonbondeds(univ.atoms, coords, univ.size, nbondMaxDist);
}
bool vdW = true; // use vdW
bool elec = false; // ignore electrostatic
double D = double.PositiveInfinity; // dielectric constant for Tinker is "1"
bool ignNegSpr = true; // ignore negative spring (do not add the spring into hessian matrix)
double?K_r = null; // null for sbNMA, and 340.00 for ssNMA
double?K_theta = null; // null for sbNMA, and 45.00 for ssNMA
double?K_ub = null; // null for sbNMA, and 10.00 for ssNMA
double?K_psi = null; // null for sbNMA, and 70.00 for ssNMA
double?K_chi = null; // null for sbNMA, and 1.00 for ssNMA
double?n = null; // null for sbNMA, and 1 for ssNMA
string K_nbnd = null; // null for sbNMA, and "Unif" for ssNMA
if (options.Contains("TIP3P: (vdW+elec) for OH,OO,HH"))
{
K_nbnd = "TIP3P: (vdW+elec) for OH,OO,HH";
}
if (options.Contains("TIP3P: (vdW+elec) for OH"))
{
K_nbnd = "TIP3P: (vdW+elec) for OH";
}
if (options.Contains("vdW:L79"))
{
K_nbnd = "L79";
}
if (options.Contains("vdW:UnifSgn"))
{
K_nbnd = "UnifSgn";
}
if (options.Contains("K_chi:1"))
{
K_chi = 1;
}
HessMatrix hess = null;
if (b_bonds)
{
hess = STeM.GetHessBond(coords, univ.bonds, K_r: K_r, hessian: hess, collector: collectorBond);
}
if (b_angles)
{
hess = STeM.GetHessAngle(coords, univ.angles, true, K_theta: K_theta, K_ub: K_ub, hessian: hess, collector: collectorAngle);
}
if (b_impropers)
{
hess = STeM.GetHessImproper(coords, univ.impropers, K_psi: K_psi, hessian: hess, useArnaud96: true, collector: collectorImproper);
}
if (b_dihedrals)
{
hess = STeM.GetHessDihedral(coords, univ.dihedrals, K_chi: K_chi, n: n, hessian: hess, useAbsSpr: true, useArnaud96: true, collector: collectorDihedral);
}
if (b_nonbondeds)
{
hess = HessSpr.GetHessNonbond(coords, nonbondeds, D, K_nbnd: K_nbnd, hessian: hess, vdW: vdW, elec: elec, ignNegSpr: ignNegSpr, maxAbsSpring: maxAbsSpring, collector: collectorNonbonded, GetCustomKij: GetCustomKij);
}
if (b_nonbonded14s)
{
hess = HessSpr.GetHessNonbond(coords, nonbonded14s, D, K_nbnd: K_nbnd, hessian: hess, vdW: vdW, elec: elec, ignNegSpr: ignNegSpr, maxAbsSpring: maxAbsSpring, collector: collectorNonbonded14, GetCustomKij: GetCustomKij);
}
if (sca_bonds != null)
{
if (sca_bonds.Value != 1)
{
hess += (sca_bonds.Value - 1) * STeM.GetHessBond(coords, univ.bonds, K_r: K_r, hessian: null);
}
}
if (sca_angles != null)
{
if (sca_angles.Value != 1)
{
hess += (sca_angles.Value - 1) * STeM.GetHessAngle(coords, univ.angles, true, K_theta: K_theta, K_ub: K_ub, hessian: null);
}
}
if (sca_impropers != null)
{
if (sca_impropers.Value != 1)
{
hess += (sca_impropers.Value - 1) * STeM.GetHessImproper(coords, univ.impropers, K_psi: K_psi, hessian: null, useArnaud96: true);
}
}
if (sca_dihedrals != null)
{
if (sca_dihedrals.Value != 1)
{
hess += (sca_dihedrals.Value - 1) * STeM.GetHessDihedral(coords, univ.dihedrals, K_chi: K_chi, n: n, hessian: null, useAbsSpr: true, useArnaud96: true);
}
}
if (sca_nonbondeds != null)
{
if (sca_nonbondeds.Value != 1)
{
hess += (sca_nonbondeds.Value - 1) * HessSpr.GetHessNonbond(coords, nonbondeds, D, K_nbnd: K_nbnd, hessian: null, vdW: vdW, elec: elec, ignNegSpr: ignNegSpr, maxAbsSpring: maxAbsSpring);
}
}
if (sca_nonbonded14s != null)
{
if (sca_nonbonded14s.Value != 1)
{
hess += (sca_nonbonded14s.Value - 1) * HessSpr.GetHessNonbond(coords, nonbonded14s, D, K_nbnd: K_nbnd, hessian: null, vdW: vdW, elec: elec, ignNegSpr: ignNegSpr, maxAbsSpring: maxAbsSpring);
}
}
//Hess.UpdateHessNaN(hess, coords);
{
foreach (var bc_br_bval in hess.EnumBlocks())
{
int bc = bc_br_bval.Item1;
int br = bc_br_bval.Item2;
var bval = bc_br_bval.Item3;
if (coords[bc] == null)
{
throw new HException("have hess block for null-coord");
}
if (coords[br] == null)
{
throw new HException("have hess block for null-coord");
}
if (bval == null)
{
throw new HException();
}
for (int c = 0; c < bval.ColSize; c++)
{
for (int r = 0; r < bval.RowSize; r++)
{
double val = bval[c, r];
if (double.IsNaN(val))
{
throw new HException("hess has nan element");
}
if (double.IsPositiveInfinity(val))
{
throw new HException("hess has pos-inf element");
}
if (double.IsNegativeInfinity(val))
{
throw new HException("hess has neg-inf element");
}
}
}
}
}
return(new HessInfo
{
hess = hess,
mass = univ.GetMasses(),
atoms = univ.atoms.ToArray(),
coords = coords.HCloneVectors().ToArray(),
numZeroEigval = 6,
});
}
public static void TestTuLiangDataSet()
{
System.Console.WriteLine("pdbid : ANM(TuLiang -> mine), STeM(TuLiang -> mine)");
foreach (STeM.DataSet data in STeM.TuLiangDataSet)
{
Pdb pdb = PdbDatabase.GetPdb(data.pdbid);
int numChain = pdb.atoms.ListChainID().HListCommonT().Count;
HDebug.Assert(numChain == 1);
//List<Pdb.Atom> atoms = pdb.atoms.SelectByName("CA");
List <Pdb.Atom> atoms = pdb.atoms.SelectByAltLoc().SelectByName("CA");
//List<Pdb.Atom> atoms = pdb.atoms.SelectByDefault().SelectByName("CA");
List <Vector> coords = atoms.ListCoord();
Vector bfactors = atoms.ListTempFactor().ToArray();
Matrix hessANM = Hess.GetHessAnm(coords, 12);
Mode[] modeANM = Hess.GetModesFromHess(hessANM);
modeANM = modeANM.SelectExceptSmallSix();
Vector bfactorANM = modeANM.GetBFactor().ToArray();
double corrANM = HBioinfo.BFactor.Corr(bfactors, bfactorANM);
//Matrix hessGNM = ENM.GnmHessian(coords, 12);
//Mode[] modeGNM = Hess.GetModes(hessGNM);
//Vector bfactorGNM = modeGNM.GetBFactor().ToArray();
//double corrGNM = BFactor.Corr(bfactors, bfactorGNM);
HessMatrix hessSTeM = STeM.GetHessCa_matlab(coords);
//Matrix hessSTeM = STeM.GetHessCa(coords);
Mode[] modeSTeM = Hess.GetModesFromHess(hessSTeM);
modeSTeM = modeSTeM.SelectExceptSmallSix();
Vector bfactorSTeM = modeSTeM.GetBFactor().ToArray();
double corrSTeM = HBioinfo.BFactor.Corr(bfactors, bfactorSTeM);
System.Console.Write(data.pdbid);
System.Console.Write(" : ANM({0:0.00}) -> {1:0.0000})", data.ANM, corrANM);
System.Console.Write(" : STeM({0:0.00}) -> {1:0.0000})", data.STeM, corrSTeM);
System.Console.WriteLine();
}
/// Capture of result...
///
/// pdbid : ANM(TuLiang -> mine), STeM(TuLiang -> mine)
/// 1AAC : ANM(0.70) -> 0.6918) : STeM(0.76) -> 0.7538)
/// 1ADS : ANM(0.77) -> 0.7807) : STeM(0.71) -> 0.7142)
/// 1AHC : ANM(0.79) -> 0.7953) : STeM(0.61) -> 0.6117)
/// 1AKY : ANM(0.56) -> 0.5675) : STeM(0.60) -> 0.6023)
/// 1AMM : ANM(0.56) -> 0.5951) : STeM(0.55) -> 0.5304)
#region ...
/// 1AMP : ANM(0.62) -> 0.5643) : STeM(0.68) -> 0.6739)
/// 1ARB : ANM(0.78) -> 0.7526) : STeM(0.83) -> 0.8253)
/// 1ARS : ANM(0.14) -> 0.1343) : STeM(0.41) -> 0.3646)
/// 1ARU : ANM(0.70) -> 0.7358) : STeM(0.79) -> 0.7921)
/// 1BKF : ANM(0.52) -> 0.4695) : STeM(0.50) -> 0.4940)
/// 1BPI : ANM(0.43) -> 0.4225) : STeM(0.57) -> 0.5588)
/// 1CDG : ANM(0.65) -> 0.6586) : STeM(0.71) -> 0.7068)
/// 1CEM : ANM(0.51) -> 0.5232) : STeM(0.76) -> 0.6735)
/// 1CNR : ANM(0.34) -> 0.3445) : STeM(0.42) -> 0.4190)
/// 1CNV : ANM(0.69) -> 0.6748) : STeM(0.68) -> 0.6775)
/// 1CPN : ANM(0.51) -> 0.5607) : STeM(0.56) -> 0.5535)
/// 1CSH : ANM(0.44) -> 0.4257) : STeM(0.57) -> 0.5755)
/// 1CTJ : ANM(0.47) -> 0.4889) : STeM(0.62) -> 0.6256)
/// 1CUS : ANM(0.74) -> 0.7416) : STeM(0.76) -> 0.7992)
/// 1DAD : ANM(0.28) -> 0.3461) : STeM(0.42) -> 0.4155)
/// 1DDT : ANM(0.21) -> 0.1899) : STeM(0.49) -> 0.4869)
/// 1EDE : ANM(0.67) -> 0.7044) : STeM(0.75) -> 0.7439)
/// 1EZM : ANM(0.56) -> 0.5609) : STeM(0.58) -> 0.5842)
/// 1FNC : ANM(0.29) -> 0.2663) : STeM(0.61) -> 0.6109)
/// 1FRD : ANM(0.54) -> 0.5933) : STeM(0.77) -> 0.7579)
/// 1FUS : ANM(0.40) -> 0.3935) : STeM(0.61) -> 0.6084)
/// 1FXD : ANM(0.58) -> 0.6291) : STeM(0.70) -> 0.6793)
/// 1GIA : ANM(0.68) -> 0.6655) : STeM(0.69) -> 0.6856)
/// 1GKY : ANM(0.36) -> 0.3833) : STeM(0.44) -> 0.4257)
/// 1GOF : ANM(0.75) -> 0.7614) : STeM(0.78) -> 0.7736)
/// 1GPR : ANM(0.65) -> 0.5689) : STeM(0.66) -> 0.6534)
/// 1HFC : ANM(0.63) -> 0.6313) : STeM(0.35) -> 0.7303)
/// 1IAB : ANM(0.36) -> 0.3262) : STeM(0.53) -> 0.5232)
/// 1IAG : ANM(0.34) -> 0.3464) : STeM(0.44) -> 0.4344)
/// 1IFC : ANM(0.61) -> 0.5054) : STeM(0.53) -> 0.5395)
/// 1IGD : ANM(0.18) -> 0.1874) : STeM(0.27) -> 0.2660)
/// 1IRO : ANM(0.82) -> 0.7949) : STeM(0.85) -> 0.8461)
/// 1JBC : ANM(0.72) -> 0.7380) : STeM(0.73) -> 0.7326)
/// 1KNB : ANM(0.63) -> 0.6615) : STeM(0.54) -> 0.5389)
/// 1LAM : ANM(0.53) -> 0.5324) : STeM(0.71) -> 0.7102)
/// 1LCT : ANM(0.52) -> 0.5488) : STeM(0.61) -> 0.6115)
/// 1LIS : ANM(0.16) -> 0.1674) : STeM(0.30) -> 0.2959)
/// 1LIT : ANM(0.65) -> 0.5715) : STeM(0.76) -> 0.7575)
/// 1LST : ANM(0.39) -> 0.3860) : STeM(0.73) -> 0.7283)
/// 1MJC : ANM(0.67) -> 0.6470) : STeM(0.61) -> 0.6164)
/// 1MLA : ANM(0.59) -> 0.5686) : STeM(0.54) -> 0.5404)
/// 1MRJ : ANM(0.66) -> 0.6708) : STeM(0.50) -> 0.4923)
/// 1NAR : ANM(0.62) -> 0.6257) : STeM(0.74) -> 0.7332)
/// 1NFP : ANM(0.23) -> 0.2561) : STeM(0.41) -> 0.4053)
/// 1NIF : ANM(0.42) -> 0.4139) : STeM(0.61) -> 0.6112)
/// 1NPK : ANM(0.53) -> 0.5654) : STeM(0.64) -> 0.5983)
/// 1OMP : ANM(0.61) -> 0.5857) : STeM(0.65) -> 0.6499)
/// 1ONC : ANM(0.55) -> 0.5789) : STeM(0.58) -> 0.5736)
/// 1OSA : ANM(0.36) -> 0.3596) : STeM(0.55) -> 0.5465)
/// 1OYC : ANM(0.78) -> 0.7708) : STeM(0.77) -> 0.7757)
/// 1PBE : ANM(0.53) -> 0.5341) : STeM(0.63) -> 0.6290)
/// 1PDA : ANM(0.60) -> 0.6240) : STeM(0.58) -> 0.5697)
/// 1PHB : ANM(0.56) -> 0.5919) : STeM(0.59) -> 0.5866)
/// 1PHP : ANM(0.59) -> 0.5852) : STeM(0.65) -> 0.6470)
/// 1PII : ANM(0.19) -> 0.2429) : STeM(0.28) -> 0.2871)
/// 1PLC : ANM(0.41) -> 0.3411) : STeM(0.42) -> 0.4239)
/// 1POA : ANM(0.54) -> 0.5944) : STeM(0.42) -> 0.4290)
/// 1POC : ANM(0.46) -> 0.4341) : STeM(0.39) -> 0.3878)
/// 1PPN : ANM(0.61) -> 0.5655) : STeM(0.67) -> 0.6757)
/// 1PTF : ANM(0.47) -> 0.4669) : STeM(0.54) -> 0.5349)
/// 1PTX : ANM(0.65) -> 0.5949) : STeM(0.62) -> 0.6167)
/// 1RA9 : ANM(0.48) -> 0.5029) : STeM(0.53) -> 0.5267)
/// 1RCF : ANM(0.59) -> 0.5629) : STeM(0.58) -> 0.5937)
/// 1REC : ANM(0.34) -> 0.3352) : STeM(0.49) -> 0.4884)
/// 1RIE : ANM(0.71) -> 0.7440) : STeM(0.52) -> 0.6806)
/// 1RIS : ANM(0.25) -> 0.2199) : STeM(0.47) -> 0.4779)
/// 1RRO : ANM(0.08) -> 0.1192) : STeM(0.36) -> 0.3266)
/// 1SBP : ANM(0.69) -> 0.6955) : STeM(0.67) -> 0.6668)
/// 1SMD : ANM(0.50) -> 0.5193) : STeM(0.67) -> 0.6713)
/// 1SNC : ANM(0.68) -> 0.6860) : STeM(0.72) -> 0.7275)
/// 1THG : ANM(0.50) -> 0.4982) : STeM(0.50) -> 0.4934)
/// 1TML : ANM(0.64) -> 0.6266) : STeM(0.58) -> 0.5728)
/// 1UBI : ANM(0.56) -> 0.5610) : STeM(0.61) -> 0.6235)
/// 1WHI : ANM(0.12) -> 0.1223) : STeM(0.38) -> 0.3713)
/// 1XIC : ANM(0.29) -> 0.2942) : STeM(0.47) -> 0.4624)
/// 2AYH : ANM(0.63) -> 0.6453) : STeM(0.82) -> 0.8157)
/// 2CBA : ANM(0.67) -> 0.6562) : STeM(0.80) -> 0.8054)
/// 2CMD : ANM(0.68) -> 0.6630) : STeM(0.62) -> 0.6106)
/// 2CPL : ANM(0.61) -> 0.6379) : STeM(0.72) -> 0.7131)
/// 2CTC : ANM(0.63) -> 0.6220) : STeM(0.75) -> 0.7495)
/// 2CY3 : ANM(0.51) -> 0.5150) : STeM(0.67) -> 0.6614)
/// 2END : ANM(0.63) -> 0.6307) : STeM(0.68) -> 0.6841)
/// 2ERL : ANM(0.74) -> 0.7400) : STeM(0.85) -> 0.8445)
/// 2HFT : ANM(0.63) -> 0.5503) : STeM(0.72) -> 0.7228)
/// 2IHL : ANM(0.62) -> 0.6632) : STeM(0.72) -> 0.7083)
/// 2MCM : ANM(0.78) -> 0.7774) : STeM(0.79) -> 0.7886)
/// 2MHR : ANM(0.65) -> 0.6117) : STeM(0.64) -> 0.6341)
/// 2MNR : ANM(0.46) -> 0.4762) : STeM(0.47) -> 0.4688)
/// 2PHY : ANM(0.54) -> 0.5160) : STeM(0.68) -> 0.6831)
/// 2RAN : ANM(0.43) -> 0.4072) : STeM(0.31) -> 0.3138)
/// 2RHE : ANM(0.28) -> 0.2074) : STeM(0.33) -> 0.3317)
/// 2RN2 : ANM(0.68) -> 0.6555) : STeM(0.75) -> 0.7478)
/// 2SIL : ANM(0.43) -> 0.4203) : STeM(0.51) -> 0.5127)
/// 2TGI : ANM(0.69) -> 0.6787) : STeM(0.73) -> 0.7391)
/// 3CHY : ANM(0.61) -> 0.5572) : STeM(0.68) -> 0.6885)
/// 3COX : ANM(0.71) -> 0.6925) : STeM(0.72) -> 0.7179)
/// 3EBX : ANM(0.22) -> 0.1913) : STeM(0.40) -> 0.3871)
/// 3GRS : ANM(0.44) -> 0.4431) : STeM(0.59) -> 0.5910)
/// 3LZM : ANM(0.60) -> 0.5867) : STeM(0.66) -> 0.6567)
/// 3PTE : ANM(0.68) -> 0.6788) : STeM(0.77) -> 0.7688)
/// 4FGF : ANM(0.41) -> 0.3695) : STeM(0.43) -> 0.4166)
/// 4GCR : ANM(0.73) -> 0.7077) : STeM(0.75) -> 0.7258)
/// 4MT2 : ANM(0.42) -> 0.3117) : STeM(0.46) -> 0.4547)
/// 5P21 : ANM(0.40) -> 0.3540) : STeM(0.45) -> 0.4521)
/// 7RSA : ANM(0.42) -> 0.4663) : STeM(0.59) -> 0.5938)
/// 8ABP : ANM(0.61) -> 0.6265) : STeM(0.62) -> 0.6182)
#endregion
}