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r840
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tools/ 838 (10 years ago) by duarte: New class in tools: RegexFileFilter, a convenient FileFilter based on regex, amazingly java doesn't provide this!
tinker/ 809 (10 years ago) by duarte: Introduced some more checks for validity of contact types.
tests/ 813 (10 years ago) by duarte: Fixed runNaccess to use unique file names and documented it. Wrote also a junit test case for it.
sequence/ 806 (10 years ago) by duarte: New method contains().
sadp/ 501 (11 years ago) by duarte: Changed implementation of Alignment: now based on indices rather than tags. Interface remains mostly the same
proteinstructure/ 840 (10 years ago) by duarte: New method getMotifNoGaps
ppi/ 788 (10 years ago) by filippis: white TO talyn
litNet/ 788 (10 years ago) by filippis: white TO talyn
graphAveraging/ 811 (10 years ago) by duarte: New options -e and -i in reconstruct (for forcing angle constraints)
embed/ 835 (10 years ago) by duarte: Changed scoring: from sum(upi-ui)2 to sum of max(0,upi-ui). New methods to write subsets to files in table (tab delimited) format. Now main() writes out all scores/subsets to two files instead of only outputting best, worse and ensemble of bests. Moved ScoreSet to its own file, new static methods to read subsets from db.
actionTools/ 492 (11 years ago) by duarte: Copied the aglappe-jung branch into trunk.
writeSASAtoBFactor.java 819 (10 years ago) by stehr: new command line tools for visualizing surface accessibility and for printing information about a mutated site in a protein structure
testResidueSelectionString.java 492 (11 years ago) by duarte: Copied the aglappe-jung branch into trunk.
testPymolServer.java 492 (11 years ago) by duarte: Copied the aglappe-jung branch into trunk.
testPyMol.java 492 (11 years ago) by duarte: Copied the aglappe-jung branch into trunk.
testPdb.java 793 (10 years ago) by duarte: Cleaned up and updated the testPdb example code.
testMySQLConnection.java 792 (10 years ago) by duarte: Cleaned up and updated the mysql connection example
testJUNGframework.java 660 (11 years ago) by duarte: Put another test: finding edges is independent of order of indices given for UNDIRECTED.
testGraph2Pml.java 492 (11 years ago) by duarte: Copied the aglappe-jung branch into trunk.
testGetChains.java 788 (10 years ago) by filippis: white TO talyn
testDeltaDistanceMap.java 517 (11 years ago) by duarte: Changed Alignment class so that both alignment and sequence indexing are starting at 1 (before alignment indices were starting at 0). Also mapping is now done through arrays not maps. Changed all other classes using Alignment to accommodate this. NOTE: graph averaging hasn't been tested after the change
testDbRIGraph.java 788 (10 years ago) by filippis: white TO talyn
testClusterConnection.java 492 (11 years ago) by duarte: Copied the aglappe-jung branch into trunk.
superimposeMult.java 771 (11 years ago) by stehr: now taking command line parameters
runMD.java 715 (11 years ago) by duarte: New option -s to do split output. Now converting final gro file to pdb Fixed bugs: - now flushing correctly the gromacs.log (by closing log) - now properly cleaning up temp files (the ones written to /tmp)
reconstruct.java 834 (10 years ago) by duarte: Now using file name as id for reports when reconstructing from cm files.
pairwiseSeqId.java 815 (10 years ago) by stehr: new executables for pairwise all-against-all sequence alignments (pairwiseSeqId) and for calculating surface accessibilities and writing them to the b-factor column
mapMutations.java 839 (10 years ago) by stehr: added option to keep pymol script
make-aglappe.sh 777 (11 years ago) by duarte: Added drmaa.jar to make file
genGraph.java 794 (10 years ago) by duarte: Got rid of hard coded mysql server references in scripts.
genDbGraph.java 794 (10 years ago) by duarte: Got rid of hard coded mysql server references in scripts.
dumpseq.java 794 (10 years ago) by duarte: Got rid of hard coded mysql server references in scripts.
dumppdb.java 794 (10 years ago) by duarte: Got rid of hard coded mysql server references in scripts.
doClassifySingleModels.sh 789 (10 years ago) by filippis: white TO talyn
createGraphDb.sh 790 (10 years ago) by filippis: white TO talyn
computeEnergies.java 573 (11 years ago) by duarte: Fixed script: was exiting after computing native energy!
compareCMs.java 492 (11 years ago) by duarte: Copied the aglappe-jung branch into trunk.
compareAlignments.java 769 (11 years ago) by stehr: added methods and executables to calculate 3d superimpositions using PolyposeRunner
calculateGridDensity.java 788 (10 years ago) by filippis: white TO talyn
benchmarkGraphAlgorithm.java 788 (10 years ago) by filippis: white TO talyn
averageGraph.java 782 (10 years ago) by duarte: New constructor with no arguments for MySQLConnection, it reads connection parameters from ~/.my.cnf. Modified accordingly the executable classes reconstruct and averageGraph. Now they will only work if user has a .my.cnf.
addSeq2Mcma.java 769 (11 years ago) by stehr: added methods and executables to calculate 3d superimpositions using PolyposeRunner
Manifest.txt 730 (11 years ago) by duarte: Updated version to 1.1.0
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