Hierarchy of Delaunay Tessellation-based Scoring Functions

Paper draft
Scores using various DT-based scoring functions for all multiple decoys sets from the Decoys 'R' Us database.
Solubility Mutagenesis data set: Input files for use with the program SolMutate.exe : List_SolMutants.txt Input_SolMutants.txt.

Excecutable programs (compiled using gcc version 4.3.0 20080428 (Red Hat 4.3.0-8))
(the corresponding table(s) of log-likelihood ratios is(are) provided for each executable.)

Native/decoy discrimination scoring functions: Readme_HierarchyDTPots.txt

TwoBNoBury.exe Table_2BPots.txt
Buried_TwoBPot.exe Table_Buried_2BPots.txt
ThreeBNoBury.exe Table_3BPots.txt
Buried_ThreeBPot.exe Table_Buried_3BPots.txt
FourBPot.exe Table_4BPots.txt (see here for details of original four-body pots)
Comb34BPot.exe Table_Buried_3BPots.txt Table_4BPots.txt

Programs to generate the tables of log-likelihood ratios: Readme_GetTable.txt

GetTable_2BPots.exe
GetTable_Buried_2BPots.exe
GetTables_3BPots.exe (generates both non-buried and buried 3-body tables)
GetTable_4BPots.exe

Program for solublity mutagenesis: Readme_SolMutate.txt

SolMutate.exe Table_SolMut_3BPots.txt

The file ResidueMap.txt must be available in the working directory for running all the programs.

Bala Krishnamoorthy

Last modified: Thu Nov 6 10:50:33 PDT 2008