Mercurial > repos > chemteam > gmx_get_builtin_file

comparison test-data/index.ndx @ 0:a81256d23782 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit a8eac146d0f6b9696f4afaaaa96891e8e324f78e"
author chemteam
date Tue, 21 Dec 2021 13:45:19 +0000
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comparison
equal deleted inserted replaced
-1:000000000000 0:a81256d23782
1 [ System ]
2 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
3 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30
4 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45
5 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60
6 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75
7 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90
8 91 92 93 94
9 [ Protein ]
10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
11 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30
12 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45
13 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60
14 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75
15 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90
16 91 92
17 [ Protein-H ]
18 1 5 7 10 13 16 19 23 24 25 27 29 31 35 39
19 40 41 43 45 48 49 51 53 55 57 59 60 61 63 66
20 67 68 70 72 75 78 81 83 84 87 90 91 92
21 [ C-alpha ]
22 5 27 43 63 70
23 [ Backbone ]
24 1 5 23 25 27 39 41 43 59 61 63 66 68 70 90
25 [ MainChain ]
26 1 5 23 24 25 27 39 40 41 43 59 60 61 63 66
27 67 68 70 90 91 92
28 [ MainChain+Cb ]
29 1 5 7 23 24 25 27 29 39 40 41 43 45 59 60
30 61 63 66 67 68 70 72 90 91 92
31 [ MainChain+H ]
32 1 2 3 4 5 23 24 25 26 27 39 40 41 42 43
33 59 60 61 62 63 66 67 68 69 70 90 91 92
34 [ SideChain ]
35 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
36 21 22 28 29 30 31 32 33 34 35 36 37 38 44 45
37 46 47 48 49 50 51 52 53 54 55 56 57 58 64 65
38 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85
39 86 87 88 89
40 [ SideChain-H ]
41 7 10 13 16 19 29 31 35 45 48 49 51 53 55 57
42 72 75 78 81 83 84 87
43 [ Prot-Masses ]
44 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
45 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30
46 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45
47 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60
48 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75
49 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90
50 91 92
51 [ non-Protein ]
52 93 94
53 [ Ion ]
54 93 94
55 [ CL ]
56 93 94