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r385
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tools/ 381 (11 years ago) by lpetzo: a generic pair class
tinker/ 379 (11 years ago) by stehr: redesign of TinkerRunner: added 2 reconstruct methods, one which generates normal tinker output for a given number of models, and one fully automatic one which simply returns one pdb object; updated reconstruct.java to make use of the new TinkerRunner method; updated GraphAverager: now assigning edgetype and cutoff to consensus graph
sadp/ 371 (11 years ago) by lpetzo: Class ContactMap: - Exception ContactMapConstructionError is thrown if the construction of a contact map from a Graph object fails. - changed method to determine the number of nodes of a graph object. - changed method to iterate through the set of edges of the graph (though the previous version seemed to be much more efficient ...) Class SADP: - added some new members controlling to input order of the contact maps (preservedInputOrder) - the progress status of the run() method is send to a Retriever object - added getters and setter for all data member. - implemented methods to compute the sequence alignment and the node matching - a couple of changes in method main
proteinstructure/ 385 (11 years ago) by lpetzo: NEW TYPES --------- - FileFormatError - FastaFileFormatError - PirFileFormatError - AlignmentConstructionError MODIFICATIONS ------------- class Alignment: - introduced new exceptions to be throw whenever file format error have been detected or any other construction errors occur - changed accession rules of function getGapCharacter from "public" to "public static" - new functions: * writeFasta class CiffileFormatError: - changed super class from Exception to the new FileFormatError class class GraphFileFormatError: - s. class CiffileFormatError class PairwiseAlignmentConverter: - added exception handling features due to class Alignment class PairwiseAlignmentGraphConverter: - s. class PairwiseAlignmentConverter class PdbFileFormatError: - s. class CifffileFormatError
actionTools/ 369 (11 years ago) by lpetzo: This package provides a set of very basic abstract classes serving as interfaces to very basic tasks such as: 1. condition checkings (class Checker), 2. data retrieval (class Retriever) and 3. pure workers that perform any kind of actions that do not depend on any kind of input data (class Doer). Each of these classes is a subclass of class Action which only purpose is to store the object affected by the subclasses action method.
writeTargetMoves.java 313 (11 years ago) by lappe: short form to compress nbstrings = condense multiple occurence of a symbol in the nbhstring to 1. Still a bitz buggy. sometimes 2 symbols are left in ?
testResidueSelectionString.java 351 (11 years ago) by stehr: added some test programs to default package
testPymolServer.java 203 (12 years ago) by duarte: Using apache xmlrpc version 3.0 in PyMolServerOutputStream
testPyMol.java 114 (12 years ago) by duarte: Initial commit. PyMol API script example, also using our PymolServerOutputStream to send commands directly to server
testPdb.java 215 (12 years ago) by stehr: some clean up of exceptions in Pdb and Graph classes: merged PdbAcCodeNotFoundError and MsdAcCodeNotFoundError into PdbCodeNotFoundError, created new PdbChainCodeNotFound, got rid of stderr output, throwing exceptions with informative messages instead
testMySQLConnection.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
testGraphClustering.java 351 (11 years ago) by stehr: added some test programs to default package
testGraphAverager.java 351 (11 years ago) by stehr: added some test programs to default package
testGraph2Pml.java 116 (12 years ago) by filippis: testGraph2Pml.java fixed according to changes made in Msdsd2Pdb.java
testDeltaDistanceMap.java 327 (11 years ago) by stehr: fixed missing references to constants in class AA
testClusterConnection.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
scoreTargetMoves.java 375 (11 years ago) by duarte: Cleaned up. More command line parameters
rewriteNBHood_parallel.java 291 (12 years ago) by lappe: 1st version scoring with pdb_reps_graph_4_2 and full nbhood string
rewriteNBHood.java 299 (12 years ago) by lappe: only one out of both BB/SC insertion per moves based on sc/bb domin. out of temp shell
reconstruct.java 379 (11 years ago) by stehr: redesign of TinkerRunner: added 2 reconstruct methods, one which generates normal tinker output for a given number of models, and one fully automatic one which simply returns one pdb object; updated reconstruct.java to make use of the new TinkerRunner method; updated GraphAverager: now assigning edgetype and cutoff to consensus graph
minInfoGain.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
maxInfoGain.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
makeNbhTbl.java 24 (13 years ago) by stehr: moved executables (classes with main function) to root directory
listInfoLoss.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
listInfoGain.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
iterateUpperNbs.java 268 (12 years ago) by lappe:
iterateUpperNbhood.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
iterateNbs.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
iterateNbhood.java 202 (12 years ago) by duarte: MySQLConnection now throwing SQLException on connect Many files changed following this: all calling classes now re-throwing or catching the SQLException
iterEvalNbhood.java 269 (12 years ago) by lappe:
hashIterNbhood.java 267 (12 years ago) by lappe:
genGraph.java 285 (12 years ago) by duarte: Fixed a few bugs in reading of list file Better output and error messages
genDbGraph.java 359 (11 years ago) by duarte: Now can do multiple contact types/cutoffs per pdb structure
compareCMs.java 215 (12 years ago) by stehr: some clean up of exceptions in Pdb and Graph classes: merged PdbAcCodeNotFoundError and MsdAcCodeNotFoundError into PdbCodeNotFoundError, created new PdbChainCodeNotFound, got rid of stderr output, throwing exceptions with informative messages instead
cnex1.java 265 (12 years ago) by lappe: final version incl. pessimistic tie-break
cnHashIterNbhood.java 266 (12 years ago) by lappe:
cnEvalTargetNbhood.java 271 (12 years ago) by lappe:
cnCoarseNbhood.java 272 (12 years ago) by lappe:
calculateGridDensity.java 303 (11 years ago) by stehr: added writeResultsToFile()
benchmarkGraphAlgorithm.java 254 (12 years ago) by duarte: Also writing graph to file
Manifest.txt 321 (11 years ago) by stehr: added test program for difference distance maps, updated Manifest to v0.8.5
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