Index

A

apply_rotation() (in module BuildDatabank.buildH_calcOP_test)

averageOrderParameters() (in module DatabankLib.databankLibrary)

B

build_all_Hs_calc_OP() (in module BuildDatabank.buildH_calcOP_test) BuildDatabank.AddData module BuildDatabank.buildH_calcOP_test module BuildDatabank.check_mappings module

BuildDatabank.makeRanking module BuildDatabank.QualityEvaluation module BuildDatabank.searchDATABANK module buildHs_on_1C() (in module BuildDatabank.buildH_calcOP_test)

C

calc_angle() (in module BuildDatabank.buildH_calcOP_test) calc_OP() (in module BuildDatabank.buildH_calcOP_test) calc_rotation_matrix() (in module BuildDatabank.buildH_calcOP_test)

calcArea() (in module DatabankLib.databankLibrary) CalcAreaPerMolecule() (in module DatabankLib.databankLibrary) calcLipidFraction() (in module DatabankLib.databankLibrary) cross_product() (in module BuildDatabank.buildH_calcOP_test)

D

DatabankLib.databankLibrary module

DatabankLib.databankop module

E

Experiment (class in BuildDatabank.searchDATABANK)

F

fast_build_all_Hs_calc_OP() (in module BuildDatabank.buildH_calcOP_test) fast_buildHs_on_1C() (in module BuildDatabank.buildH_calcOP_test)

find_OP() (in module DatabankLib.databankop) findPairs() (in module BuildDatabank.searchDATABANK)

G

get_CH() (in module BuildDatabank.buildH_calcOP_test) get_CH2() (in module BuildDatabank.buildH_calcOP_test) get_CH3() (in module BuildDatabank.buildH_calcOP_test) get_CH_double_bond() (in module BuildDatabank.buildH_calcOP_test) get_indexes() (in module BuildDatabank.buildH_calcOP_test) getAtoms() (in module DatabankLib.databankLibrary) GetFormFactorMin() (in module DatabankLib.databankLibrary) getHydrationLevel() (in module DatabankLib.databankLibrary)

getIons() (BuildDatabank.searchDATABANK.Experiment method) (BuildDatabank.searchDATABANK.Simulation method) getLipids() (BuildDatabank.searchDATABANK.Experiment method) (BuildDatabank.searchDATABANK.Simulation method) (in module DatabankLib.databankLibrary) GetNlipids() (in module DatabankLib.databankLibrary) GetThickness() (in module DatabankLib.databankLibrary) getUniversalAtomName() (in module DatabankLib.databankLibrary)

I

indexingPath (BuildDatabank.searchDATABANK.Simulation attribute)

init_dic_OP() (in module BuildDatabank.buildH_calcOP_test) ionConcentration() (BuildDatabank.searchDATABANK.Simulation method)

L

loadExperiments() (in module BuildDatabank.searchDATABANK) loadMappingFile() (in module DatabankLib.databankLibrary)

loadSimulations() (in module BuildDatabank.searchDATABANK) logPairs() (in module BuildDatabank.searchDATABANK)

M

main() (in module BuildDatabank.buildH_calcOP_test) (in module BuildDatabank.searchDATABANK) make_dic_atname2genericname() (in module BuildDatabank.buildH_calcOP_test) make_dic_Cname2Hnames() (in module BuildDatabank.buildH_calcOP_test) make_dic_lipids_with_indexes() (in module BuildDatabank.buildH_calcOP_test) module BuildDatabank.AddData BuildDatabank.buildH_calcOP_test BuildDatabank.check_mappings BuildDatabank.makeRanking BuildDatabank.QualityEvaluation BuildDatabank.searchDATABANK DatabankLib.databankLibrary DatabankLib.databankop updateGUI.createPDBs

molarFraction() (BuildDatabank.searchDATABANK.Simulation method)

N

norm() (in module BuildDatabank.buildH_calcOP_test)

normalize() (in module BuildDatabank.buildH_calcOP_test)

P

pandasdf2pdb() (in module BuildDatabank.buildH_calcOP_test)

parse_op_input() (in module DatabankLib.databankop) parseCommandLineArgs() (in module BuildDatabank.buildH_calcOP_test)

R

read_trj_PN_angles() (in module DatabankLib.databankLibrary)

readme (BuildDatabank.searchDATABANK.Simulation attribute)

S

ShowEquilibrationTimes() (in module DatabankLib.databankLibrary) Simulation (class in BuildDatabank.searchDATABANK)

simulation2universal_atomnames() (in module DatabankLib.databankLibrary) system2MDanalysisUniverse() (in module DatabankLib.databankLibrary)

T

totalLipidConcentration() (BuildDatabank.searchDATABANK.Simulation method)

U

updateGUI.createPDBs module

V

vec2quaternion() (in module BuildDatabank.buildH_calcOP_test)