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| PREV NEXT | FRAMES NO FRAMES | ||||||||
| <Unnamed>.* |
|---|
| AbInitio | ||
|---|---|---|
public static final java.lang.String |
NAME |
"AbInitio" |
| Beautify | ||
|---|---|---|
public static final double |
FAR_AWAY |
5.0 |
public static final int |
FRAGMENT_LENGTH |
20 |
public static final java.lang.String |
NAME |
"Beautify" |
| CalcGDT | ||
|---|---|---|
public static final java.lang.String |
NAME |
"CalcGDT" |
| CalculateEnergyFromStructuresListAverages.GaussianAttributes | ||
|---|---|---|
public final int |
MAX_FEATURES |
100 |
| ColorByEnergy.GaussianAttributes | ||
|---|---|---|
public final int |
MAX_FEATURES |
100 |
| EnergyStatistics | ||
|---|---|---|
public static final java.lang.String |
NAME |
"EnergyStatistics" |
| EnergyStatisticsForAtom | ||
|---|---|---|
public static final java.lang.String |
NAME |
"EnergyStatistics" |
| HeliumClusterMinimization | ||
|---|---|---|
private static final double |
MIN_DISTANCE_SQR |
4.0 |
| HomologyModeling | ||
|---|---|---|
public static final double |
CA_CA_DISTANCE |
3.8 |
public static final java.lang.String |
NAME |
"HolologyModeling" |
| Optimize | ||
|---|---|---|
public static final java.lang.String |
NAME |
"Optimize" |
| Pdb2Fasta | ||
|---|---|---|
public static final java.lang.String |
MONOMERS_TO_IGNORE |
"HOH HEM GDP TRS LLP CA CS K CAC AMP ALF SO4 AP5 ACE AXT 3PP PO4 D12 CO UNK IHP FBP PGA FAD BME NAG DAC ADP FMN MN FE HEA B12 GTS GOL T5A MG NAP CU DCA CL ZN PER POP CIT AGM CMP GL3 MGN ORO F43 PGC TP7 SHT EGL CYO FS4 COM COB PYR GOA ISP 3PY CBX NH2 NAD TPO SM IPS SPS NDP FUC CAS C20 PLP PHO DCD TAU FE2 POH HEC NMO" |
public static final java.lang.String |
STANDARD_RESIDUES |
"ALA CYS ASP GLU PHE GLY HIS ILE LYS LEU MET ASN PRO GLN ARG SER THR VAL TRP TYR" |
| Refine | ||
|---|---|---|
public static final java.lang.String |
NAME |
"Refine" |
| RoisFirstMeshiProgram | ||
|---|---|---|
public static final java.lang.String |
NAME |
"RoisFirstMeshiProgram" |
| meshi.applications.* |
|---|
| meshi.applications.corpus.CorrectRottenRamachandrans | ||
|---|---|---|
private final double |
CUTOFF_GLY |
0.9 |
private final double |
CUTOFF_NON_GLY |
0.8 |
private final double |
DIVERSITY_RMS_IN_LIB |
0.1 |
private final double |
FACTOR_LARGE_CONTIG_RMS_CUTOFF_IN_OVERLAP |
0.2 |
private final int |
MAX_LIB_SIZE_FOR_EACH_ROTTEN |
200 |
private final double |
RMS_CUTOFF_IN_OVERLAP |
0.8 |
| meshi.applications.corpus.LoopResultVector | ||
|---|---|---|
private static final long |
serialVersionUID |
314159L |
| meshi.applications.prediction.AbitSmarterLoopBuilder | ||
|---|---|---|
public static final double |
CA_CA_DISTANCE |
3.8 |
public static final double |
CA_CA_DISTANCE2 |
14.44 |
public static final int |
MAX_CLASHES |
100 |
| meshi.applications.prediction.ModelData | ||
|---|---|---|
private static final int |
AVG_ENERGY_INDEX |
1 |
private static final int |
BASE_INDEX |
4 |
private static final int |
GDT_INDEX |
3 |
private static final int |
NAME_INDEX |
0 |
private static final int |
RMS_INDEX |
2 |
| meshi.energy.* |
|---|
| meshi.energy.AbstractEnergy | ||
|---|---|---|
public static final double |
INFINITY |
1d/0d |
| meshi.energy.CooperativeEnergyTerm | ||
|---|---|---|
public final double |
DX |
1.0E-7 |
public final double |
relativeDiffTolerance |
0.01 |
public final java.lang.String |
XYZ |
"XYZ" |
| meshi.energy.EnergyElement | ||
|---|---|---|
public static final double |
DX |
1.0E-7 |
public static final double |
relativeDiffTolerance |
5.0E-4 |
public static final java.lang.String |
XYZ |
"xyz" |
| meshi.energy.TotalEnergy | ||
|---|---|---|
static final double |
DX |
1.0E-7 |
private static final double |
INFINITY |
1d/0d |
| meshi.energy.hydrogenBond.HB_AtomAttribute | ||
|---|---|---|
public static final int |
key |
2 |
| meshi.energy.hydrogenBond.HB_DistanceAttribute | ||
|---|---|---|
public static final int |
key |
2 |
| meshi.energy.hydrogenBond.HBondList | ||
|---|---|---|
private final int |
UPDATE_EVERY_X_STEPS |
50 |
| meshi.energy.hydrogenBond.HydrogenBondsEnergyElement | ||
|---|---|---|
public static final double |
ALPHA |
1.0E-5 |
private static final double |
ONE_DIV_SIX |
0.16666666666666666 |
| meshi.energy.hydrogenBond.LennardJonesParameters | ||
|---|---|---|
public static final int |
key |
0 |
| meshi.energy.hydrogenBondsPairs.HydrogenBondsPairsEnergy | ||
|---|---|---|
private static final double |
DIFULT_HPUNISHMENT |
-100.0 |
private static final double |
DIFULT_PUNISHMENT |
-10.0 |
| meshi.energy.hydrogenBondsPairs.PairOfHydrogenBondsElements | ||
|---|---|---|
private static final int |
HB_PAIR_CAPACITY |
4 |
public final int |
MAX_INER_SEQ_DISTANCE |
10 |
public final int |
MAX_SEQ_PAIRS_DISTANCE |
5 |
| meshi.energy.pairwiseNonBondedTerms.atomicPairwisePMFSumma.AtomicPairwisePMFSummaParameters | ||
|---|---|---|
private static final java.lang.String |
LABEL_ATOM_NAMES_BEGIN |
"ATOM_NAMES_BEGIN" |
private static final java.lang.String |
LABEL_ATOM_NAMES_END |
"ATOM_NAMES_END" |
private static final java.lang.String |
LABEL_BINS_BEGIN |
"BINS_BEGIN" |
private static final java.lang.String |
LABEL_BINS_END |
"BINS_END" |
private static final java.lang.String |
LABEL_PMF_BEGIN |
"PMF_BEGIN" |
private static final java.lang.String |
LABEL_PMF_END |
"PMF_END" |
| meshi.energy.pairwiseNonBondedTerms.CoulombElectrostatics.CoulombElectrostaticEnergyElement | ||
|---|---|---|
public static final double |
ALPHA |
0.5 |
private final int |
FIRST |
0 |
public static final double |
MAX_ENERGY |
100.0 |
private final int |
SECOND |
1 |
| meshi.energy.pairwiseNonBondedTerms.evRot1BB.EVRot1BBEnergy | ||
|---|---|---|
static final double |
ALPHA |
0.01 |
| meshi.energy.pairwiseNonBondedTerms.excludedVol.ExcludedVolEnergyElement | ||
|---|---|---|
public final double |
ALPHA |
0.2 |
public final double |
C |
624.9999999999998 |
| meshi.energy.pairwiseNonBondedTerms.ExcludedVol.ExcludedVolParameters | ||
|---|---|---|
public final double |
ALPHA1 |
1.0 |
public final double |
ALPHA2 |
0.2 |
| meshi.energy.pairwiseNonBondedTerms.excludedVolOLD.ExcludedVolEnergyElementOLD | ||
|---|---|---|
public final double |
ALPHA |
0.2 |
public final double |
C |
624.9999999999998 |
| meshi.energy.pairwiseNonBondedTerms.finiteExcludedVol.FiniteExcludedVolEnergyElement | ||
|---|---|---|
public final double |
ALPHA |
0.2 |
public final double |
BETA |
1000.0 |
public final double |
C |
624.9999999999998 |
| meshi.energy.pairwiseNonBondedTerms.LennardJones.LennardJonesEnergyElement | ||
|---|---|---|
public static final double |
ALPHA |
0.5 |
private final int |
FIRST |
0 |
public static final double |
MAX_ENERGY |
10000.0 |
private final int |
SECOND |
1 |
| meshi.energy.sideChainModelingSolvate.SideChainSolvateParametersList | ||
|---|---|---|
public final int |
NTsai |
14 |
| meshi.energy.simpleEnergyTerms.alphaAngle.AlphaAngleEnergyElement | ||
|---|---|---|
private final double |
BUFF |
0.05 |
private final double |
infForce |
0.14285714285714285 |
private final double |
infForce3 |
0.0029154518950437313 |
private final double |
INV_BUFF |
20.0 |
| meshi.energy.simpleEnergyTerms.alphaTorsion.AlphaTorsionEnergyElement | ||
|---|---|---|
private final double |
BUFF |
0.05 |
private final double |
INV_BUFF |
20.0 |
| meshi.energy.simpleEnergyTerms.angle.AngleEnergyElement | ||
|---|---|---|
protected final double |
infForce |
0.14285714285714285 |
protected final double |
infForce3 |
0.0029154518950437313 |
| meshi.energy.simpleEnergyTerms.compositeTorsions.CompositeTorsionsDefinitions | ||
|---|---|---|
public static final int |
ALL |
9 |
public static final int |
CHI_1 |
3 |
public static final int |
CHI_2 |
4 |
public static final int |
CHI_3 |
5 |
public static final int |
CHI_4 |
6 |
public static final int |
COIL |
3 |
public static final int |
HELIX |
1 |
public static final int |
OMG |
0 |
public static final int |
OMNI |
21 |
public static final int |
PHI |
1 |
public static final int |
POLYNOMIAL_CHI_1 |
3 |
public static final int |
POLYNOMIAL_CHI_1_CHI_2 |
2 |
public static final int |
POLYNOMIAL_CHI_1_CHI_3 |
4 |
public static final int |
POLYNOMIAL_CHI_1_CHI_4 |
5 |
public static final int |
POLYNOMIAL_PHI_PSI |
0 |
public static final int |
POLYNOMIAL_PHI_PSI_CHI_1 |
1 |
public static final int |
PREPRO |
20 |
public static final int |
PSI |
2 |
public static final int |
SHEET |
2 |
public static final int |
TOTAL_TORSION_ANGLES |
7 |
public static final int |
UNIDENTIFIED_TORSION_TYPE |
-1 |
| meshi.energy.simpleEnergyTerms.compositeTorsions.SplinedPolynomialsLoader | ||
|---|---|---|
private static final double |
BREAKS_PADDING |
1.0E-8 |
| meshi.energy.simpleEnergyTerms.inflate.simpleInflate.SimpleInflateEnergyElement | ||
|---|---|---|
public static final double |
ALPHA |
0.1 |
| meshi.energy.simpleEnergyTerms.outOfPlane.OutOfPlaneEnergyElement | ||
|---|---|---|
protected final double |
BUFF |
0.12 |
| meshi.energy.simpleEnergyTerms.plane.PlaneEnergyElement | ||
|---|---|---|
public final double |
BETA |
0.05 |
| meshi.energy.simpleEnergyTerms.plane.PlaneParameters | ||
|---|---|---|
public static final int |
CIS |
2 |
public static final int |
CIS_TRANS |
3 |
public static final int |
TRANS |
1 |
| meshi.energy.solvate.SolvateEnergy | ||
|---|---|---|
public static final double |
SALT_BRIDGE_STRENGTH_ARG_NH |
1.5 |
public static final double |
SALT_BRIDGE_STRENGTH_ASP_OD |
0.45 |
public static final double |
SALT_BRIDGE_STRENGTH_GENERAL |
1.0 |
public static final double |
SALT_BRIDGE_STRENGTH_GLU_OE |
0.45 |
public static final double |
SALT_BRIDGE_STRENGTH_LYS_NZ |
1.65 |
public static final double |
SALT_BRIDGE_STRENGTH_TRN |
1.8 |
public static final double |
SALT_BRIDGE_STRENGTH_TRO |
0.45 |
| meshi.energy.solvate.SolvateParametersList | ||
|---|---|---|
public static final int |
N_TSAI |
14 |
| meshi.energy.solvate.hydrogenBonds.DahiyatImplementationConstants | ||
|---|---|---|
public static final double |
sigmoidBeginsNoH |
80.0 |
public static final double |
sigmoidBeginsWithH |
90.0 |
public static final double |
sigmoidEndsNoH |
90.0 |
public static final double |
sigmoidEndsWithH |
100.0 |
| meshi.energy.solvateRot1.SolvateRot1ParametersList | ||
|---|---|---|
public final int |
NTsai |
14 |
| meshi.geometry.* |
|---|
| meshi.geometry.ArcCos | ||
|---|---|---|
private static final boolean |
debug |
false |
| meshi.geometry.Distance | ||
|---|---|---|
public static final double |
INFINITE_DISTANCE |
1.7976931348623157E308 |
| meshi.geometry.DistanceMatrix | ||
|---|---|---|
public static final int |
DEFAULT_BONDED_LIST_DEPTH |
5 |
public static final double |
DEFAULT_BUFFER |
1.0 |
public static final double |
DEFAULT_RMAX |
5.5 |
| meshi.geometry.FrozenCoordinates | ||
|---|---|---|
private final double |
INFINITY |
1d/0d |
| meshi.geometry.Grid | ||
|---|---|---|
private final long |
MAX_GRID_SIZE |
1000000L |
private final double |
SPHERE_COND |
1.3 |
| meshi.geometry.MatrixRow | ||
|---|---|---|
public static final int |
CAPACITY |
10 |
| meshi.geometry.OldDistanceMatrix | ||
|---|---|---|
public static final int |
DEFAULT_BONDED_LIST_DEPTH |
5 |
public static final double |
DEFAULT_BUFFER |
1.0 |
public static final double |
DEFAULT_RMAX |
5.5 |
| meshi.geometry.OldGrid | ||
|---|---|---|
private final long |
MAX_GRID_SIZE |
1000000L |
private final double |
SPHERE_COND |
1.3 |
| meshi.geometry.rotamers.DunbrackLib | ||
|---|---|---|
public final double |
res |
0.17453292519943295 |
| meshi.molecularElements.* |
|---|
| meshi.molecularElements.Chain | ||
|---|---|---|
public static final java.lang.String |
GENERIC_CHAIN_NAME |
" " |
| meshi.molecularElements.ResidueIdentifier | ||
|---|---|---|
public static final java.lang.String |
DEFAULT_CHAIN |
" " |
| meshi.molecularElements.atoms.Atom | ||
|---|---|---|
private final int |
ATOM_BONDED_CAPACITY |
4 |
| meshi.molecularElements.atoms.AtomPair | ||
|---|---|---|
public static final int |
ATOM_PAIR_CAPACITY |
2 |
| meshi.molecularElements.extendedAtoms.Ala | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n CB O\n | |\n N - CA - C...n\n |\n H\n" |
| meshi.molecularElements.extendedAtoms.Arg | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - CD - NE - CZ - NH1\n | |\n HE NH2\n" |
| meshi.molecularElements.extendedAtoms.Asn | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - ND2 - HD21\n | |\n OD1 HD22\n" |
public static final java.lang.String |
NAME |
"ASN" |
| meshi.molecularElements.extendedAtoms.Asp | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - OD2\n | \n OD1\n" |
| meshi.molecularElements.extendedAtoms.BackboneResidue | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"General backbone residue." |
| meshi.molecularElements.extendedAtoms.Cys | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n SG \n" |
| meshi.molecularElements.extendedAtoms.Gln | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - CD - NE2 - HE21\n | |\n OE1 HE22\n" |
| meshi.molecularElements.extendedAtoms.Glu | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - CD - OE2\n |\n OE1\n" |
| meshi.molecularElements.extendedAtoms.Gly | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n |\n H\n" |
| meshi.molecularElements.extendedAtoms.His | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - CD2 - NE2 - HE2\n | |\n HD1 - ND1 ------ CE1\n" |
| meshi.molecularElements.extendedAtoms.Ile | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB - CG1 - CD1\n |\n CG2\n" |
| meshi.molecularElements.extendedAtoms.Leu | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB - CG - CD1\n |\n CD2\n" |
| meshi.molecularElements.extendedAtoms.Lys | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - CD - CE - NZ\n" |
| meshi.molecularElements.extendedAtoms.Met | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - SD - CE\n" |
| meshi.molecularElements.extendedAtoms.Phe | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - CD1 - CE1\n | |\n CD2- CE2 - CZ\n" |
| meshi.molecularElements.extendedAtoms.Pro | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n CD CB\n \\ /\n CG\n" |
| meshi.molecularElements.extendedAtoms.Ser | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n |\n CB\n /\n OG\n" |
| meshi.molecularElements.extendedAtoms.Thr | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n |\n CB\n / \\\n OG1 CG2\n" |
| meshi.molecularElements.extendedAtoms.Trp | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB CE3 - CZ3 - CH2\n | | |\n CG - CD2 - CE2 - CZ2\n | |\n CD1 ------ NE1 - HE1\n" |
| meshi.molecularElements.extendedAtoms.Tyr | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB\n |\n CG - CD1 - CE1\n | |\n CD2- CE2 - CZ-OH\n" |
| meshi.molecularElements.extendedAtoms.Val | ||
|---|---|---|
public static final java.lang.String |
COMMENT |
"From Levitt, JMB 168:592 (1983) table 2.\n O\n |\n N - CA - C...n\n | |\n H CB - CG1\n |\n CG2\n" |
| meshi.optimizers.* |
|---|
| meshi.optimizers.BFGS | ||
|---|---|---|
private static final double |
DEFAULT_ALLOWED_MAX_H_FACTOR |
100.0 |
private static final double |
DEFAULT_C1 |
1.0E-4 |
private static final double |
DEFAULT_C2 |
0.9 |
private static final double |
DEFAULT_EXTENDED_ALPHA_FACTOR_WOLF_SEARCH |
3.0 |
private static final double |
DEFAULT_INIT_STEP_STEEPEST_DECENT |
1.0E-4 |
private static final int |
DEFAULT_MAX_NUM_EVALUATIONS_WOLF_SEARCH |
10 |
private static final int |
DEFAULT_MAX_NUM_KICK_STARTS |
3 |
public static final int |
DEFAULT_NUM_STEP_STEEPEST_DECENT |
50 |
private static final double |
DEFAULT_STEP_SIZE_EXPENTION_STEEPEST_DECENT |
2.0 |
private static final double |
DEFAULT_STEP_SIZE_REDUCTION_STEEPEST_DECENT |
0.5 |
private final int |
MAX_NUM_VARIABLES |
3000 |
| meshi.optimizers.ConjugateGradient | ||
|---|---|---|
private static final double |
DEFAULT_C1 |
0.0010 |
private static final double |
DEFAULT_C2 |
0.4 |
private static final double |
DEFAULT_EXTENDED_ALPHA_FACTOR_WOLF_SEARCH |
3.0 |
private static final int |
DEFAULT_MAX_ITERATION |
100000 |
private static final int |
DEFAULT_MAX_NUM_EVALUATIONS_WOLF_SEARCH |
10 |
private static final int |
DEFAULT_REPORT_EVERY |
10 |
private static final int |
DEFAULT_RESTART_EVERY |
0 |
private static final double |
DEFAULT_TOLERANCE |
1.0E-5 |
| meshi.optimizers.LBFGS | ||
|---|---|---|
private static final int |
DEFAULT_ALLOWED_MAX_R_FACTOR |
100 |
private static final double |
DEFAULT_C1 |
1.0E-4 |
private static final double |
DEFAULT_C2 |
0.9 |
private static final double |
DEFAULT_EXTENDED_ALPHA_FACTOR_WOLF_SEARCH |
3.0 |
private static final double |
DEFAULT_INIT_STEP_STEEPEST_DECENT |
1.0E-8 |
private static final int |
DEFAULT_M |
20 |
private static final int |
DEFAULT_MAX_NUM_EVALUATIONS_WOLF_SEARCH |
100 |
private static final int |
DEFAULT_MAX_NUM_KICK_STARTS |
5 |
public static final int |
DEFAULT_NUM_STEP_STEEPEST_DECENT |
500 |
private static final double |
DEFAULT_STEP_SIZE_EXPENTION_STEEPEST_DECENT |
1.1 |
private static final double |
DEFAULT_STEP_SIZE_REDUCTION_STEEPEST_DECENT |
0.5 |
private static final boolean |
DEFAULT_USE_GAMA |
true |
| meshi.optimizers.LineSearchException | ||
|---|---|---|
public static final int |
NOT_A_DESCENT_DIRECTION |
1 |
public static final int |
WEIRD_INPUT_TO_FIND_STEP_LENGTH |
0 |
public static final int |
WOLF_CONDITION_NOT_MET |
2 |
| meshi.optimizers.Minimizer | ||
|---|---|---|
public final int |
MAX_KICKSTARTS |
1000 |
| meshi.optimizers.SimpleStepLength | ||
|---|---|---|
private final double |
INFINITY |
1d/0d |
| meshi.optimizers.SteepestDecent | ||
|---|---|---|
private static final double |
DEFAULT_INITIAL_STEP_LENGTH |
1.0E-8 |
private static final int |
DEFAULT_MAX_ITERATION |
100000 |
private static final int |
DEFAULT_REPORT_EVERY |
1 |
private static final double |
DEFAULT_STEP_SIZE_EXPENTION |
1.1 |
private static final double |
DEFAULT_STEP_SIZE_REDUCTION |
0.5 |
private static final double |
DEFAULT_TOLERANCE |
1.0E-5 |
| meshi.optimizers.WolfConditionLineSearch | ||
|---|---|---|
private final double |
interSafeGuardFactor |
20.0 |
| meshi.parameters.* |
|---|
| meshi.parameters.MeshiPotential | ||
|---|---|---|
public static final java.lang.String |
ACCESSIBLE |
"ACCESSIBLE" |
public static final java.lang.String |
ALPHA_ANGLE_PARAMETERS |
"meshiPotential/alphaRangeParameters.dat" |
public static final java.lang.String |
ALPHA_TORSION_PARAMETERS |
"meshiPotential/alphaTorsionRangeParameters.dat" |
public static final java.lang.String |
ANGLE_PARAMETERS |
"meshiPotential/angleEnergyParameters.dat" |
public static final java.lang.String |
ATOMIC_PAIRWISE_PMF_SUMMA_PARAMETERS |
"meshiPotential/PairwiseAtomicPMF_summa_5.5.dat" |
public static final java.lang.String |
BOND_PARAMETERS |
"meshiPotential/bondEnergyParameters.dat" |
public static final java.lang.String |
BURIED |
"BURIED" |
public static final java.lang.String |
COIL |
"COIL" |
public static final java.lang.String |
COMPOSITE_PROPENSITY_2D_PARAMETERS |
"meshiPotential/CompositePropensity2D_withPP.dat" |
public static final java.lang.String |
COMPOSITE_PROPENSITY_2D_WITH_PP_PARAMETERS |
"meshiPotential/CompositePropensity2D_withPP.dat" |
public static final java.lang.String |
COMPOSITE_PROPENSITY_PARAMETERS |
"meshiPotential/CompositePropensity2D.dat" |
public static final java.lang.String |
COMPOSITE_TORSIONS_PARAMETERS |
"meshiPotential/CompositeTorsionsParameters.dat" |
public static final java.lang.String |
CONTACTS_ENVIRONMENT_PARAMETERS |
"meshiPotential/contactsEnvironment.dat" |
public static final java.lang.String |
CONTACTS_PARAMETERS |
"meshiPotential/contactsParameters.dat" |
public static final java.lang.String |
COOPERATIVE_ATOMIC_PAIRWISE_PMF_SUMMA_PARAMETERS |
"meshiPotential/PairwiseAtomicPMF_summa_5.5.cooperative.dat" |
public static final java.lang.String |
COOPERATIVE_PROPENSITY_PARAMETERS |
"meshiPotential/cooperativePropensity.dat" |
public static final java.lang.String |
COOPERATIVE_RAMACHANDRAN_PARAMETERS |
"meshiPotential/CooperativeRamachandran.dat" |
public static final java.lang.String |
ELECTROSTATICS_PARAMETERS |
"meshiPotential/ElectrostaticParameters.dat" |
public static final java.lang.String |
EXCLUDED_VOL_PARAMETERS |
"meshiPotential/ExcludedVolumeParameters.dat" |
public static final java.lang.String |
HELIX |
"HELIX" |
public static final java.lang.String |
HELIX_OR_COIL |
"HELIX_OR_COIL" |
public static final java.lang.String |
HYDROGEN_BONDS_PAIRS_BETA_PARAMETERS |
"meshiPotential/HydrogenBondsBetaParameters.dat" |
public static final java.lang.String |
HYDROGEN_BONDS_PAIRS_HELIX_PARAMETERS |
"meshiPotential/HydrogenBondsHelixParameters.dat" |
public static final java.lang.String |
HYDROGEN_BONDS_PAIRS_PARAMETERS_SURFACE |
"meshiPotential/HydrogenBondsParameters.surface.dat" |
public static final java.lang.String |
LENNARD_JONES_PARAMETERS |
"meshiPotential/LennardJonesParameters.dat" |
public static final java.lang.String |
LENNARD_JONES_PARAMETERS_BACKBONE |
"meshiPotential/LennardJonesParametersBackbone.dat" |
public static final java.lang.String |
LENNARD_JONES_PARAMETERS_CA |
"meshiPotential/LennardJonesParametersCa.dat" |
public static final java.lang.String |
LJ_ENVIRONMENT_PARAMETERS |
"meshiPotential/LJEnvironment.dat" |
public static final java.lang.String |
LJ_ENVIRONMENT_PARAMETERS_BACKBONE |
"meshiPotential/LJEnvironmentBackbone.dat" |
public static final java.lang.String |
LJ_ENVIRONMENT_PARAMETERS_CA |
"meshiPotential/LJEnvironmentCa.dat" |
public static final java.lang.String |
OUT_OF_PLANE_PARAMETERS |
"meshiPotential/outOfPlaneEnergyParameters.dat" |
public static final java.lang.String |
PLANE_PARAMETERS |
"meshiPotential/planeEnergyParameters.dat" |
public static final java.lang.String |
SHEET |
"SHEET" |
public static final java.lang.String |
SHEET_OR_COIL |
"SHEET_OR_COIL" |
| meshi.sequences.* |
|---|
| meshi.sequences.Sequence | ||
|---|---|---|
public static final char |
UNKNOWN |
95 |
| meshi.sequences.SequenceAlignmentCell | ||
|---|---|---|
public static final char |
GAP_CHAR |
45 |
public static final char |
WILDCARD_CHAR |
88 |
| meshi.symmetryComplex.* |
|---|
| meshi.symmetryComplex.energy.edmEnergy.EDMSplinedPolynomial | ||
|---|---|---|
private static final int |
NUM_DIMENSIONS |
3 |
| meshi.symmetryComplex.molecularImageElements.SymmetricComplex | ||
|---|---|---|
private static final java.lang.String |
CHAIN_LETTERS |
"ABCDEFGHIJKLMNOPQRSTUVWXYZ" |
| meshi.symmetryComplex.proteinsGJ.CoordinatesAssigner | ||
|---|---|---|
public static final double |
CA_CA_DISTANCE |
3.8 |
public static final double |
CA_CA_DISTANCE2 |
14.44 |
public final int |
nLoops |
2 |
| meshi.symmetryComplex.proteinsGJ.GJModeller | ||
|---|---|---|
protected static final double |
DISTANCE_AS_NEIGHBOUR_CHAINS |
10.0 |
| meshi.symmetryComplex.proteinsGJ.RunBackboneCompleterAndMinimizer | ||
|---|---|---|
public static final java.lang.String |
NAME |
"RunBackboneCompleterAndMinimizer" |
| meshi.symmetryComplex.proteinsGJ.RunBackboneMCM | ||
|---|---|---|
public static final java.lang.String |
NAME |
"RunGJBackboneMCM" |
| meshi.symmetryComplex.proteinsGJ.RunFullModeller | ||
|---|---|---|
public static final java.lang.String |
NAME |
"RunFullGJModeller" |
| meshi.symmetryComplex.topologyMap.Topology | ||
|---|---|---|
private final java.lang.String |
LOOP |
"loop" |
| meshi.symmetryComplex.transformations.Matrix1D | ||
|---|---|---|
private static final double |
EPSILON |
1.0E-4 |
| meshi.symmetryComplex.utils.GJUtils | ||
|---|---|---|
public static final double |
RELATIVE_ORIENTATION |
43.0 |
| meshi.util.* |
|---|
| meshi.util.AttributesRack | ||
|---|---|---|
public static final int |
MAX_ATTRIBUTES |
20 |
| meshi.util.GDTcalculator | ||
|---|---|---|
public static final double |
maximal_distance |
4.9 |
public static final int |
num_of_loops |
20 |
public static final int |
SUB |
4 |
| meshi.util.MeshiAttribute | ||
|---|---|---|
public static final int |
BEAUTIFY_ATTRIBUTE |
12 |
public static final int |
CN_ATTRIBUTE |
3 |
public static final int |
DISTANCE_FROM_CATALYTIC_ATTRIBUTE |
11 |
public static final int |
EXCLUDED_VOLUME_ELEMENT_ATTRIBUTE |
1 |
public static final int |
GAUSSIAN_ALPHA |
9 |
public static final int |
GAUSSIAN_ATTRIBUTE |
8 |
public static final int |
HYDROGEN_BONDS_ATTRIBUTE |
2 |
public static final int |
LENNARD_JONES_ELEMENT_ATTRIBUTE |
0 |
public static final int |
LOOP_RESIDUE |
13 |
public static final int |
ORIGINAL_ATOM |
14 |
public static final int |
RESIDUE_ATTRIBUTE |
7 |
public static final int |
RESIDUE_TORSIONS_ATTRIBUTE |
18 |
public static final int |
SECONDARY_STRUCTURE_ATTRIBUTE |
10 |
public static final int |
SEQUENCE_ALIGNMENT_COLUMN_ATTRIBUTE |
4 |
public static final int |
SIDE_CHAIN_SOLVATE_ALL_ATOM_ATTRIBUTE |
16 |
public static final int |
SOLVATE_ALL_ATOM_ATTRIBUTE |
5 |
public static final int |
SOLVATE_CA_ATTRIBUTE |
6 |
public static final int |
SOLVATE_ROT1_ATTRIBUTE |
15 |
public static final int |
SUMMA_ATTRIBUTE |
17 |
|
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