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tests/ 1244 (9 years ago) by jmduarteg: Finally ASA/BSA comparison to PISA test passes. Have to exclude one case where slight difference interface area values led to different sorting and so comparsion doesn't work. This will still be a problem whenever that happens (whenever different sorting of PISA vs ours)
sadp/ 1084 (10 years ago) by matt4077: renamed conflicting ContactMap class.
ppi/ 1007 (10 years ago) by hstehr: refactoring: moved casp, deltaRank, embed, graphAveraging, ppi, sadp to owl
litNet/ 1007 (10 years ago) by hstehr: refactoring: moved casp, deltaRank, embed, graphAveraging, ppi, sadp to owl
graphAveraging/ 1170 (9 years ago) by hstehr: adding secondary structure functions to RIGEnsemble and GraphAverager: GraphAverager can now use DSSP to get consensus secondary structure from underlying structures.
gmbp/ 1237 (9 years ago) by cvehlow: commit latest version
embed/ 1243 (9 years ago) by gmueller: some methods removed and added to a new class, other simplified
deltaRank/ 1057 (10 years ago) by matt4077: add psi/phi constraints from secondary structure to tinker reconstructions
decoyScoring/ 1208 (9 years ago) by cvehlow: Scoring:KendallsTau-method added to Statistics
core/ 1242 (9 years ago) by jmduarteg: Fixed bug: NACCESS (weirdly) calculates slightly different ASA values for same molecule in different orientation (i.e. it depends on the choice of axes)!! That produces then some strange BSA values (including some negative) and slight discrepancies. Thus now we run NACCESS always for each of the 2 isolated molecules of the interface and then the complex (and so losing efficiency).
casp/ 1223 (9 years ago) by hstehr: updated classes for evaluating our CASP predictions
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