source: util/src@ 086db0

Name Size Rev Age Author Last Change
../
unittests 37ec1b   15 years FrederikHeber BUGFIX: Extended AverageColumnsUnitTest, found one bug in …
VibrAlyzer.c 4.4 KB ​ ef87ee   16 years FrederikHeber Added versioning to each executable. - credits to Ralf Wildenhues for …
version.h 98 bytes ​ 0af58f   16 years FrederikHeber Fixed versioning. - FIX: version.h was falsely excluded in .gitignore …
stochastik.cpp 2.0 KB ​ ef87ee   16 years FrederikHeber Added versioning to each executable. - credits to Ralf Wildenhues for …
SortByRings.sh.in 1.7 KB ​ 4a7a5c   17 years FrederikHeber BUGFIX: Repaired SortByRings (missed letters in sed expression besides …
ShiftPeriodic.py.in 1.5 KB ​ c03ca6   16 years FrederikHeber ShiftPeriodic.py fixed for xyz files.
RestorePDBfromGrape.py.in 253 bytes ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
ReSequenceDX.pl.in 4.8 KB ​ 03c204   17 years FrederikHeber Two perl script files that were forgotten to add
RemoveRandomAtoms.py.in 1.1 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
RemoveConvexPart.py.in 25.6 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
ReMapDBondFileFromXYZ.py.in 5.9 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
ReMapDBondFile.py.in 7.3 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
ReduceDBondFiletoSubset.py.in 7.4 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
ReadSrcIon.c 5.0 KB ​ ef87ee   16 years FrederikHeber Added versioning to each executable. - credits to Ralf Wildenhues for …
PrepareStoneWalesDefects.py.in 6.3 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
PairCorrelationToClusterSurface.py.in 14.7 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
PairCorrelationToCluster.py.in 3.2 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
PairCorrelationTIP3toResiduum.py.in 2.7 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
OutputRaster3DHeader.py.in 1.2 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
Nanotubes.pl.in 31.2 KB ​ 03c204   17 years FrederikHeber Two perl script files that were forgotten to add
NanoCreator.h 1.2 KB ​ 49faa8   16 years FrederikHeber FIX: NanoCreator - changed MYEPSILON to 0.2 - (16,0) Torus up to 300 …
NanoCreator.c 65.2 KB ​ 1074cb   16 years FrederikHeber NanoCreator - radius in Tube section is now outside of loop. …
mergesort.h 522 bytes ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
mergesort.c 1.4 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
meas2pdb.sh.in 2.0 KB ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
Makefile.am 2.7 KB ​ 5a84ee   15 years FrederikHeber Rewrite of average.cpp and added first UnitTest. - average.cpp is now …
LinearlyInterpolateBetweenPCPConfigs.py.in 4.7 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
grep_shielding.sh.in 1.3 KB ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
GetPdb.c 3.4 KB ​ ef87ee   16 years FrederikHeber Added versioning to each executable. - credits to Ralf Wildenhues for …
GetIDsOfBorderAtoms.py.in 1.1 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
GetBondsFromPDB.py.in 5.1 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
GetBondedPairs.py.in 4.4 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
gather_result.sh.in 606 bytes ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
gather_averaged_results.sh.in 3.5 KB ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
gather_all_results.sh.in 5.8 KB ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
FindNonTriplesTIP3.py.in 2.0 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
FindInnerPointsinBB.py.in 1.6 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
dynamicANOVA.sh.in 8.8 KB ​ b7fafb   17 years FrederikHeber nothing really changed, just identation
diagonalize.c 1.3 KB ​ ef87ee   16 years FrederikHeber Added versioning to each executable. - credits to Ralf Wildenhues for …
CutBlockFromPDB.py.in 5.3 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
CreateVspeShapes.py.in 17.2 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
CreateNeighboursForTIP3.py.in 1.9 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
CreateH2.c 1.8 KB ​ ef87ee   16 years FrederikHeber Added versioning to each executable. - credits to Ralf Wildenhues for …
CreateGaAs.c 2.4 KB ​ ef87ee   16 years FrederikHeber Added versioning to each executable. - credits to Ralf Wildenhues for …
CreateFromXYZ.sh.in 2.9 KB ​ 5db625   17 years FrederikHeber FIX: absolute paths were replaced by @prefix@ and @bindir@ directives.
CreateAllVspeShapes.py.in 1.1 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
convertXDataToXYData.py.in 541 bytes ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
convertpdb.sh.in 105 bytes ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
convertPCP2MPQC.py.in 1.5 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
convertMPQCout2pcp.py.in 3.6 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
convertHessianMPQC2PCP.py.in 2.6 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
convert2old.sh.in 3.0 KB ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
config2xyz.sh.in 954 bytes ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
CheckMap.py.in 1.7 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
CalculateXRayFromPDBstep.py.in 2.2 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
CalculateSurfaceOfCluster.py.in 1.7 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
CalculatePairCorrelation.py.in 2.8 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
CalculateMass.sh.in 780 bytes ​ 13088d   16 years FrederikHeber Small changes in the scripts CalculateDensity: prefix was wrongly set …
CalculateDensityfromConfig.sh.in 1.1 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
CalculateDensity.py.in 1.7 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
BOSSMatcher.pl.in 4.2 KB ​ 74baec   17 years FrederikHeber fft_3d_create_plan: small BUGFIX - local_data was free'd twice and …
averager.cpp 1.4 KB ​ 5a84ee   15 years FrederikHeber Rewrite of average.cpp and added first UnitTest. - average.cpp is now …
average_result.sh.in 4.4 KB ​ bad406   17 years FrederikHeber renamed all shell files to sh.in, replaced /bin/sh by @SHELL@ and …
average.hpp 699 bytes ​ 5a84ee   15 years FrederikHeber Rewrite of average.cpp and added first UnitTest. - average.cpp is now …
average.cpp 4.6 KB ​ 37ec1b   15 years FrederikHeber BUGFIX: Extended AverageColumnsUnitTest, found one bug in …
AnimateStereo.py.in 4.3 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
Animate.py.in 3.6 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
AnalyseStressResults.py.in 2.2 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
AnalysePASFromEllipsoids.py.in 2.4 KB ​ e1a46d   16 years FrederikHeber All of my python script put into ESPACK and adapted with @PYTHON@ and …
AdaptiveANOVA.sh.in 2.8 KB ​ 5db625   17 years FrederikHeber FIX: absolute paths were replaced by @prefix@ and @bindir@ directives.
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