 ../
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litNet/
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1007
(12 years ago)
by hstehr:
refactoring: moved casp, deltaRank, embed, graphAveraging, ppi, sadp to owl
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ppi/
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1007
(12 years ago)
by hstehr:
refactoring: moved casp, deltaRank, embed, graphAveraging, ppi, sadp to owl
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deltaRank/
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1057
(12 years ago)
by matt4077:
add psi/phi constraints from secondary structure to tinker reconstructions
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sadp/
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1084
(12 years ago)
by matt4077:
renamed conflicting ContactMap class.
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graphAveraging/
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1170
(11 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.
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decoyScoring/
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1208
(11 years ago)
by cvehlow:
Scoring:KendallsTau-method added to Statistics
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casp/
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1223
(11 years ago)
by hstehr:
updated classes for evaluating our CASP predictions
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gmbp/
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1237
(11 years ago)
by cvehlow:
commit latest version
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embed/
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1240
(11 years ago)
by hstehr:
suppressing two warnings
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core/
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1241
(11 years ago)
by jmduarteg:
Fixed bug: the bsa values of residues of the different interfaces were being updated on the same references, we have to copy before creating ChainInterface objects in getAllInterfaces.
Implemented interface pdb file outputting in enumerateInterfaces
Still interfaces tests don't pass because of 2 problems: a) order of first/second molecule not necessarily same as PISA (and in case of same chain codes can't catch it with chain codes), b) in many cases there are many minor discrepancies, usually associated to a lot of small negative bsa values.
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tests/
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1241
(11 years ago)
by jmduarteg:
Fixed bug: the bsa values of residues of the different interfaces were being updated on the same references, we have to copy before creating ChainInterface objects in getAllInterfaces.
Implemented interface pdb file outputting in enumerateInterfaces
Still interfaces tests don't pass because of 2 problems: a) order of first/second molecule not necessarily same as PISA (and in case of same chain codes can't catch it with chain codes), b) in many cases there are many minor discrepancies, usually associated to a lot of small negative bsa values.
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