| 1 |
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| 2 | bin_PROGRAMS = \
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| 3 | average \
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| 4 | CreateGaAs \
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| 5 | CreateH2 \
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| 6 | diagonalize \
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| 7 | GetPdb \
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| 8 | NanoCreator \
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| 9 | ReadSrcIon \
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| 10 | stochastik \
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| 11 | VibrAlyzer
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| 12 |
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| 13 | average_SOURCES = average.cpp
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| 14 | CreateGaAs_SOURCES = CreateGaAs.c
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| 15 | CreateH2_SOURCES = CreateH2.c
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| 16 | diagonalize_SOURCES = diagonalize.c
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| 17 | GetPdb_SOURCES = GetPdb.c mergesort.c mergesort.h
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| 18 | NanoCreator_SOURCES = NanoCreator.c NanoCreator.h
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| 19 | ReadSrcIon_SOURCES = ReadSrcIon.c
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| 20 | stochastik_SOURCES = stochastik.cpp
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| 21 | VibrAlyzer_SOURCES = VibrAlyzer.c
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| 22 |
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| 23 | bashscripts = \
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| 24 | AdaptiveANOVA.sh \
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| 25 | average_result.sh \
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| 26 | CreateFromXYZ.sh \
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| 27 | CalculateDensityfromConfig.sh \
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| 28 | CalculateMass.sh \
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| 29 | config2xyz.sh \
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| 30 | convert2old.sh \
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| 31 | convertpdb.sh \
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| 32 | dynamicANOVA.sh \
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| 33 | gather_result.sh \
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| 34 | gather_all_results.sh \
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| 35 | grep_shielding.sh \
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| 36 | gather_averaged_results.sh \
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| 37 | meas2pdb.sh \
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| 38 | SortByRings.sh
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| 39 |
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| 40 | perlscripts = \
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| 41 | BOSSMatcher.pl \
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| 42 | Nanotubes.pl \
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| 43 | ReSequenceDX.pl
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| 44 |
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| 45 | pythonscripts = \
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| 46 | AnalysePASFromEllipsoids.py \
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| 47 | AnalyseStressResults.py \
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| 48 | Animate.py \
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| 49 | AnimateStereo.py \
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| 50 | CalculateDensity.py \
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| 51 | CalculatePairCorrelation.py \
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| 52 | CalculateSurfaceOfCluster.py \
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| 53 | CalculateXRayFromPDBstep.py \
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| 54 | CreateNeighboursForTIP3.py \
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| 55 | convertHessianMPQC2PCP.py \
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| 56 | convertMPQCout2pcp.py \
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| 57 | convertPCP2MPQC.py \
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| 58 | convertXDataToXYData.py \
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| 59 | CreateAllVspeShapes.py \
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| 60 | CreateVspeShapes.py \
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| 61 | CutBlockFromPDB.py \
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| 62 | FindInnerPointsinBB.py \
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| 63 | FindNonTriplesTIP3.py \
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| 64 | GetBondedPairs.py \
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| 65 | GetBondsFromPDB.py \
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| 66 | GetIDsOfBorderAtoms.py \
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| 67 | LinearlyInterpolateBetweenPCPConfigs.py \
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| 68 | OutputRaster3DHeader.py \
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| 69 | LinearlyInterpolateBetweenPCPConfigs.py \
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| 70 | PairCorrelationTIP3toResiduum.py \
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| 71 | PairCorrelationToCluster.py \
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| 72 | PairCorrelationToClusterSurface.py \
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| 73 | PrepareStoneWalesDefects.py \
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| 74 | ReduceDBondFiletoSubset.py \
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| 75 | ReMapDBondFileFromXYZ.py \
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| 76 | ReMapDBondFile.py \
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| 77 | RemoveConvexPart.py \
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| 78 | RemoveRandomAtoms.py \
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| 79 | RemoveConvexPart.py \
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| 80 | RemoveRandomAtoms.py \
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| 81 | RestorePDBfromGrape.py \
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| 82 | ShiftPeriodic.py
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| 83 |
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| 84 |
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| 85 | bin_SCRIPTS = ${bashscripts} ${perlscripts} ${pythonscripts}
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| 86 |
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