| Geant4 Cross Reference |
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2 Geant4 - dnadamage1 example 2 Geant4 - dnadamage1 example
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4 4
5 README file 5 README file
6 -------------------- 6 ----------------------
7 7
8 8
9 This is a new example and it may contain bugs. 9 This is a new example and it may contain bugs.
10 It was developed by Hoang Tran. 10 It was developed by Hoang Tran.
11 Damage analysis was developed by Le Tuan Anh. <<
12 If you find a bug, please contact IRSN: 11 If you find a bug, please contact IRSN:
13 yann.perrot@irsn.fr or carmen.villagrasa@irsn 12 yann.perrot@irsn.fr or carmen.villagrasa@irsn.fr
14 13
15 ---->0. INTRODUCTION. 14 ---->0. INTRODUCTION.
16 15
17 The dnadamage1 example shows a simple way to s 16 The dnadamage1 example shows a simple way to simulate dna direct and indirect damages
18 using the Geant4-DNA physics and chemical proc 17 using the Geant4-DNA physics and chemical processes in a molecular DNA geometry.
19 Moreover, a clustering algorithm is introduced <<
20 18
21 This example is based on the work described in 19 This example is based on the work described in Sc. Rep. 7 (2017)11923
22 and is provided by the Geant4-DNA collaboratio 20 and is provided by the Geant4-DNA collaboration.
23 21
24 Any report or published results obtained using 22 Any report or published results obtained using the Geant4-DNA software shall
25 cite the following Geant4-DNA collaboration pu 23 cite the following Geant4-DNA collaboration publications:
26 Phys. Med. 31 (2015) 861-874 24 Phys. Med. 31 (2015) 861-874
27 Med. Phys. 37 (2010) 4692-4708 25 Med. Phys. 37 (2010) 4692-4708
28 26
29 ---->1. GEOMETRY SET-UP. 27 ---->1. GEOMETRY SET-UP.
30 28
31 The geometry is chromatical fiber in a 40-nm s 29 The geometry is chromatical fiber in a 40-nm side cube (Voxel<straight>) made of liquid water (G4_WATER
32 material). Particles are randomly shot in a ci 30 material). Particles are randomly shot in a cicle of 5 nm2 radius from left side of the cube.
33 31
34 The DNA chromatical fiber geometry is generate 32 The DNA chromatical fiber geometry is generated by DnaFabric tool(https://bitbucket.org/sylMeylan/opendnafabric).
35 For detail, please see: Sc. Rep. 7 (2017) 1192 33 For detail, please see: Sc. Rep. 7 (2017) 11923
36 34
37 ---->2. SET-UP 35 ---->2. SET-UP
38 36
39 The code can be compiled with cmake. 37 The code can be compiled with cmake.
40 It works in MT mode. 38 It works in MT mode.
41 Chemistry stage is automatically activated. 39 Chemistry stage is automatically activated.
42 40
43 ---->3. HOW TO RUN THE EXAMPLE 41 ---->3. HOW TO RUN THE EXAMPLE
44 42
45 In interactive mode, run: 43 In interactive mode, run:
46 44
47 ./dnadamage1 45 ./dnadamage1
48 (Note: interactive mode needs at least 6Go of 46 (Note: interactive mode needs at least 6Go of RAM for visualization and may not work correctly in some plateformes)
49 47
50 In batch, the macro dnadamage1.in can be used 48 In batch, the macro dnadamage1.in can be used as bellows. It shows how to shoot different
51 particle types and energies. 49 particle types and energies.
52 50
53 ./dnadamage1 dnadamage1.in 51 ./dnadamage1 dnadamage1.in
54 52
55 ---->4. PHYSICS 53 ---->4. PHYSICS
56 54
57 This example shows: 55 This example shows:
58 - how to use the Geant4-DNA processes (physics 56 - how to use the Geant4-DNA processes (physics and chemistry) through G4EmDNAPhysics and G4EmDNAChemistry_option2 constructors
59 (look at the PhysicsList.cc file) 57 (look at the PhysicsList.cc file)
60 - how to count and save energy depositions giv 58 - how to count and save energy depositions giving rise to direct damages using an energy thershold
61 of 17.5 eV in teh nucleotide backbone region. 59 of 17.5 eV in teh nucleotide backbone region.
62 (look at the SteppingAction.cc file) 60 (look at the SteppingAction.cc file)
63 -how to forbid water radicals to be created at 61 -how to forbid water radicals to be created at the DNA molecule volume (look at the SteppingAction.cc file)
64 ) 62 )
65 63
66 ---->5. CHEMISTRY 64 ---->5. CHEMISTRY
67 65
68 This example shows: 66 This example shows:
69 - how to add a parallel world for chemistry 67 - how to add a parallel world for chemistry
70 - how to add a new reaction of free radicals w 68 - how to add a new reaction of free radicals with a DNA molecule using <Step by step model>
71 (look at the G4EmDNAChemistry_option2) 69 (look at the G4EmDNAChemistry_option2)
72 - how to count and save occurrences of chemica 70 - how to count and save occurrences of chemical reactions for indirect damages
73 (look at to TimeStepAction.cc file) 71 (look at to TimeStepAction.cc file)
74 72
75 73
76 ---->6. SIMULATION OUTPUT AND RESULT ANALYSIS 74 ---->6. SIMULATION OUTPUT AND RESULT ANALYSIS
77 75
78 This file can be easily analyzed using the pro 76 This file can be easily analyzed using the provided ROOT macro
79 file analysis.C (and scandamges.C, molecule.C) << 77 file analysis.C (and plot.C, molecule.C); The plot.C results in a text file using the SDD format:
80 "A new standard DNA damage (SDD) data format" 78 "A new standard DNA damage (SDD) data format" J. Schuemann et al. Published in Rad. Res. 191 (2019) 76-92
81 to do so : 79 to do so :
82 * be sure to have ROOT installed on your machi 80 * be sure to have ROOT installed on your machine (version 6 series)
83 * be sure to be in the directory containing th 81 * be sure to be in the directory containing the ROOT files created by dnadamage1
84 * copy analysis.C (and scandamges.C, molecule. << 82 * copy analysis.C (and plot.C, molecule.C) into this directory
85 * from there, launch ROOT by typing root 83 * from there, launch ROOT by typing root
86 * under your ROOT session, type in : .X analys 84 * under your ROOT session, type in : .X analysis.C to execute the macro file
87 * alternatively you can type directly under yo 85 * alternatively you can type directly under your session : root -b analysis.C
88 86
89 <<
90 Results will be obtained: <<
91 * Count numbers of direct and indirect SB (str <<
92 * Count numbers of SSB, DSB (simple, complex) <<
93 * In function scandamges(), users change: <<
94 * Break-energy to select direct damages <<
95 * probability to select indirect damages <<
96 * minium distance between two clusters ( <<
97 to see how they affect direct/indirect SB, SSB <<
98 * Damages in SDD format <<
99 ---------------------------------------------- 87 ---------------------------------------------------------------------------
100 88
101 Contact: ngoc-hoang.tran@irsn.fr, carmen.villa 89 Contact: ngoc-hoang.tran@irsn.fr, carmen.villagrasa@irsn.fr
102 90