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test_data: add input comparisons
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	new file:   rna_tools/input/comparison/4GXY_min_reconstruction_std.pdb
	new file:   rna_tools/input/comparison/4GXY_min_std.pdb
	new file:   rna_tools/input/comparison2/4GXY_min_std.pdb
	new file:   rna_tools/input/comparison2/4GXY_min_std_1P-52.pdb
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@mmagnus
mmagnus committed May 7, 2024
1 parent e30023c commit 7aab372
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48 changes: 48 additions & 0 deletions rna_tools/input/comparison/4GXY_min_reconstruction_std.pdb
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Original file line number Diff line number Diff line change
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REMARK 250 Model edited with rna-tools
REMARK 250 ver 3.13.4+1.ga9072391.dirty
REMARK 250 https://github.com/mmagnus/rna-tools
REMARK 250 Thu Jul 13 20:38:59 2023
ATOM 1 P G A 1 0.000 0.000 0.000 1.00 0.00 P
ATOM 2 OP1 G A 1 0.149 -1.141 -0.939 1.00 0.00 O
ATOM 3 OP2 G A 1 -1.121 0.004 0.974 1.00 0.00 O
ATOM 4 O5' G A 1 1.361 0.163 0.811 1.00 0.00 O
ATOM 5 C5' G A 1 1.813 -0.858 1.689 1.00 0.00 C
ATOM 6 C4' G A 1 2.473 -0.281 2.916 1.00 0.00 C
ATOM 7 O4' G A 1 1.792 0.938 3.314 1.00 0.00 O
ATOM 8 C3' G A 1 2.438 -1.149 4.164 1.00 0.00 C
ATOM 9 O3' G A 1 3.461 -2.130 4.187 1.00 0.00 O
ATOM 10 C2' G A 1 2.545 -0.152 5.286 1.00 0.00 C
ATOM 11 O2' G A 1 3.901 0.195 5.529 1.00 0.00 O
ATOM 12 C1' G A 1 1.814 1.066 4.721 1.00 0.00 C
ATOM 13 N9 G A 1 0.425 1.157 5.208 1.00 0.00 N
ATOM 14 C8 G A 1 -0.724 1.146 4.454 1.00 0.00 C
ATOM 15 N7 G A 1 -1.810 1.242 5.172 1.00 0.00 N
ATOM 16 C5 G A 1 -1.352 1.321 6.479 1.00 0.00 C
ATOM 17 C6 G A 1 -2.068 1.440 7.699 1.00 0.00 C
ATOM 18 O6 G A 1 -3.291 1.501 7.871 1.00 0.00 O
ATOM 19 N1 G A 1 -1.211 1.487 8.794 1.00 0.00 N
ATOM 20 C2 G A 1 0.160 1.428 8.725 1.00 0.00 C
ATOM 21 N2 G A 1 0.818 1.489 9.893 1.00 0.00 N
ATOM 22 N3 G A 1 0.839 1.318 7.595 1.00 0.00 N
ATOM 23 C4 G A 1 0.025 1.270 6.520 1.00 0.00 C
ATOM 24 P C A 2 3.711 -3.196 3.470 1.00 0.00 P
ATOM 25 OP1 C A 2 4.647 -4.038 4.257 1.00 0.00 O
ATOM 26 OP2 C A 2 3.841 -3.143 1.991 1.00 0.00 O
ATOM 27 O5' C A 2 2.222 -3.641 3.820 1.00 0.00 O
ATOM 28 C5' C A 2 1.972 -4.663 4.773 1.00 0.00 C
ATOM 29 C4' C A 2 2.292 -4.205 6.174 1.00 0.00 C
ATOM 30 O4' C A 2 1.809 -2.851 6.371 1.00 0.00 O
ATOM 31 C3' C A 2 1.645 -4.997 7.300 1.00 0.00 C
ATOM 32 O3' C A 2 2.328 -6.204 7.593 1.00 0.00 O
ATOM 33 C2' C A 2 1.630 -3.991 8.448 1.00 0.00 C
ATOM 34 O2' C A 2 2.908 -3.885 9.059 1.00 0.00 O
ATOM 35 C1' C A 2 1.332 -2.696 7.692 1.00 0.00 C
ATOM 36 N1 C A 2 -0.113 -2.402 7.641 1.00 0.00 N
ATOM 37 C2 C A 2 -0.785 -2.159 8.845 1.00 0.00 C
ATOM 38 O2 C A 2 -0.152 -2.197 9.911 1.00 0.00 O
ATOM 39 N3 C A 2 -2.110 -1.887 8.825 1.00 0.00 N
ATOM 40 C4 C A 2 -2.768 -1.851 7.667 1.00 0.00 C
ATOM 41 N4 C A 2 -4.075 -1.579 7.696 1.00 0.00 N
ATOM 42 C5 C A 2 -2.114 -2.094 6.426 1.00 0.00 C
ATOM 43 C6 C A 2 -0.803 -2.362 6.457 1.00 0.00 C
TER 44 C A 2
48 changes: 48 additions & 0 deletions rna_tools/input/comparison/4GXY_min_std.pdb
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Original file line number Diff line number Diff line change
@@ -0,0 +1,48 @@
REMARK 250 Model edited with rna-tools
REMARK 250 ver 3.13.4+1.ga9072391.dirty
REMARK 250 https://github.com/mmagnus/rna-tools
REMARK 250 Thu Jul 13 20:38:59 2023
ATOM 1 P G A 2 50.001 77.254 40.137 0.00 0.00 P
ATOM 2 OP1 G A 2 50.150 76.113 39.198 0.00 0.00 O
ATOM 3 OP2 G A 2 48.878 77.258 41.113 0.00 0.00 O
ATOM 4 O5' G A 2 51.384 77.570 40.867 0.00 0.00 O
ATOM 5 C5' G A 2 51.979 76.620 41.738 0.00 0.00 C
ATOM 6 C4' G A 2 52.646 77.286 42.915 0.00 0.00 C
ATOM 7 O4' G A 2 51.874 78.441 43.324 0.00 0.00 O
ATOM 8 C3' G A 2 52.760 76.443 44.177 0.00 0.00 C
ATOM 9 O3' G A 2 53.875 75.563 44.155 0.00 0.00 O
ATOM 10 C2' G A 2 52.827 77.486 45.289 0.00 0.00 C
ATOM 11 O2' G A 2 54.150 77.978 45.436 0.00 0.00 O
ATOM 12 C1' G A 2 51.955 78.609 44.724 0.00 0.00 C
ATOM 13 N9 G A 2 50.583 78.614 45.280 0.00 0.00 N
ATOM 14 C8 G A 2 49.432 78.521 44.533 0.00 0.00 C
ATOM 15 N7 G A 2 48.338 78.580 45.239 0.00 0.00 N
ATOM 16 C5 G A 2 48.788 78.737 46.540 0.00 0.00 C
ATOM 17 C6 G A 2 48.039 78.864 47.738 0.00 0.00 C
ATOM 18 O6 G A 2 46.809 78.852 47.887 0.00 0.00 O
ATOM 19 N1 G A 2 48.877 78.997 48.839 0.00 0.00 N
ATOM 20 C2 G A 2 50.249 79.015 48.790 0.00 0.00 C
ATOM 21 N2 G A 2 50.858 79.158 49.975 0.00 0.00 N
ATOM 22 N3 G A 2 50.961 78.904 47.676 0.00 0.00 N
ATOM 23 C4 G A 2 50.170 78.769 46.590 0.00 0.00 C
ATOM 24 P C A 3 53.712 74.058 43.607 0.00 0.00 P
ATOM 25 OP1 C A 3 54.661 73.208 44.373 0.00 0.00 O
ATOM 26 OP2 C A 3 53.842 74.111 42.126 0.00 0.00 O
ATOM 27 O5' C A 3 52.211 73.703 44.008 0.00 0.00 O
ATOM 28 C5' C A 3 51.929 72.736 45.006 0.00 0.00 C
ATOM 29 C4' C A 3 52.302 73.231 46.381 0.00 0.00 C
ATOM 30 O4' C A 3 51.899 74.617 46.542 0.00 0.00 O
ATOM 31 C3' C A 3 51.636 72.516 47.542 0.00 0.00 C
ATOM 32 O3' C A 3 52.263 71.288 47.865 0.00 0.00 O
ATOM 33 C2' C A 3 51.708 73.553 48.651 0.00 0.00 C
ATOM 34 O2' C A 3 53.017 73.609 49.198 0.00 0.00 O
ATOM 35 C1' C A 3 51.462 74.840 47.866 0.00 0.00 C
ATOM 36 N1 C A 3 50.028 75.204 47.821 0.00 0.00 N
ATOM 37 C2 C A 3 49.305 75.539 48.983 0.00 0.00 C
ATOM 38 O2 C A 3 49.854 75.523 50.099 0.00 0.00 O
ATOM 39 N3 C A 3 47.994 75.872 48.865 0.00 0.00 N
ATOM 40 C4 C A 3 47.416 75.881 47.661 0.00 0.00 C
ATOM 41 N4 C A 3 46.130 76.218 47.589 0.00 0.00 N
ATOM 42 C5 C A 3 48.126 75.553 46.471 0.00 0.00 C
ATOM 43 C6 C A 3 49.416 75.230 46.599 0.00 0.00 C
TER 44 C A 3
48 changes: 48 additions & 0 deletions rna_tools/input/comparison2/4GXY_min_std.pdb
View file
Original file line number Diff line number Diff line change
@@ -0,0 +1,48 @@
REMARK 250 Model edited with rna-tools
REMARK 250 ver 3.13.4+0.g561e9881.dirty
REMARK 250 https://github.com/mmagnus/rna-tools
REMARK 250 Thu Jul 13 19:24:02 2023
ATOM 1 P G A 2 50.001 77.254 40.137 0.00 0.00 P
ATOM 2 OP1 G A 2 50.150 76.113 39.198 0.00 0.00 O
ATOM 3 OP2 G A 2 48.878 77.258 41.113 0.00 0.00 O
ATOM 4 O5' G A 2 51.384 77.570 40.867 0.00 0.00 O
ATOM 5 C5' G A 2 51.979 76.620 41.738 0.00 0.00 C
ATOM 6 C4' G A 2 52.646 77.286 42.915 0.00 0.00 C
ATOM 7 O4' G A 2 51.874 78.441 43.324 0.00 0.00 O
ATOM 8 C3' G A 2 52.760 76.443 44.177 0.00 0.00 C
ATOM 9 O3' G A 2 53.875 75.563 44.155 0.00 0.00 O
ATOM 10 C2' G A 2 52.827 77.486 45.289 0.00 0.00 C
ATOM 11 O2' G A 2 54.150 77.978 45.436 0.00 0.00 O
ATOM 12 C1' G A 2 51.955 78.609 44.724 0.00 0.00 C
ATOM 13 N9 G A 2 50.583 78.614 45.280 0.00 0.00 N
ATOM 14 C8 G A 2 49.432 78.521 44.533 0.00 0.00 C
ATOM 15 N7 G A 2 48.338 78.580 45.239 0.00 0.00 N
ATOM 16 C5 G A 2 48.788 78.737 46.540 0.00 0.00 C
ATOM 17 C6 G A 2 48.039 78.864 47.738 0.00 0.00 C
ATOM 18 O6 G A 2 46.809 78.852 47.887 0.00 0.00 O
ATOM 19 N1 G A 2 48.877 78.997 48.839 0.00 0.00 N
ATOM 20 C2 G A 2 50.249 79.015 48.790 0.00 0.00 C
ATOM 21 N2 G A 2 50.858 79.158 49.975 0.00 0.00 N
ATOM 22 N3 G A 2 50.961 78.904 47.676 0.00 0.00 N
ATOM 23 C4 G A 2 50.170 78.769 46.590 0.00 0.00 C
ATOM 24 P C A 3 53.712 74.058 43.607 0.00 0.00 P
ATOM 25 OP1 C A 3 54.661 73.208 44.373 0.00 0.00 O
ATOM 26 OP2 C A 3 53.842 74.111 42.126 0.00 0.00 O
ATOM 27 O5' C A 3 52.211 73.703 44.008 0.00 0.00 O
ATOM 28 C5' C A 3 51.929 72.736 45.006 0.00 0.00 C
ATOM 29 C4' C A 3 52.302 73.231 46.381 0.00 0.00 C
ATOM 30 O4' C A 3 51.899 74.617 46.542 0.00 0.00 O
ATOM 31 C3' C A 3 51.636 72.516 47.542 0.00 0.00 C
ATOM 32 O3' C A 3 52.263 71.288 47.865 0.00 0.00 O
ATOM 33 C2' C A 3 51.708 73.553 48.651 0.00 0.00 C
ATOM 34 O2' C A 3 53.017 73.609 49.198 0.00 0.00 O
ATOM 35 C1' C A 3 51.462 74.840 47.866 0.00 0.00 C
ATOM 36 N1 C A 3 50.028 75.204 47.821 0.00 0.00 N
ATOM 37 C2 C A 3 49.305 75.539 48.983 0.00 0.00 C
ATOM 38 O2 C A 3 49.854 75.523 50.099 0.00 0.00 O
ATOM 39 N3 C A 3 47.994 75.872 48.865 0.00 0.00 N
ATOM 40 C4 C A 3 47.416 75.881 47.661 0.00 0.00 C
ATOM 41 N4 C A 3 46.130 76.218 47.589 0.00 0.00 N
ATOM 42 C5 C A 3 48.126 75.553 46.471 0.00 0.00 C
ATOM 43 C6 C A 3 49.416 75.230 46.599 0.00 0.00 C
TER 44 C A 3
48 changes: 48 additions & 0 deletions rna_tools/input/comparison2/4GXY_min_std_1P-52.pdb
View file
Original file line number Diff line number Diff line change
@@ -0,0 +1,48 @@
REMARK 250 Model edited with rna-tools
REMARK 250 ver 3.13.4+0.g561e9881.dirty
REMARK 250 https://github.com/mmagnus/rna-tools
REMARK 250 Thu Jul 13 19:24:02 2023
ATOM 1 P G A 2 52.001 77.254 40.137 0.00 0.00 P
ATOM 2 OP1 G A 2 50.150 76.113 39.198 0.00 0.00 O
ATOM 3 OP2 G A 2 48.878 77.258 41.113 0.00 0.00 O
ATOM 4 O5' G A 2 51.384 77.570 40.867 0.00 0.00 O
ATOM 5 C5' G A 2 51.979 76.620 41.738 0.00 0.00 C
ATOM 6 C4' G A 2 52.646 77.286 42.915 0.00 0.00 C
ATOM 7 O4' G A 2 51.874 78.441 43.324 0.00 0.00 O
ATOM 8 C3' G A 2 52.760 76.443 44.177 0.00 0.00 C
ATOM 9 O3' G A 2 53.875 75.563 44.155 0.00 0.00 O
ATOM 10 C2' G A 2 52.827 77.486 45.289 0.00 0.00 C
ATOM 11 O2' G A 2 54.150 77.978 45.436 0.00 0.00 O
ATOM 12 C1' G A 2 51.955 78.609 44.724 0.00 0.00 C
ATOM 13 N9 G A 2 50.583 78.614 45.280 0.00 0.00 N
ATOM 14 C8 G A 2 49.432 78.521 44.533 0.00 0.00 C
ATOM 15 N7 G A 2 48.338 78.580 45.239 0.00 0.00 N
ATOM 16 C5 G A 2 48.788 78.737 46.540 0.00 0.00 C
ATOM 17 C6 G A 2 48.039 78.864 47.738 0.00 0.00 C
ATOM 18 O6 G A 2 46.809 78.852 47.887 0.00 0.00 O
ATOM 19 N1 G A 2 48.877 78.997 48.839 0.00 0.00 N
ATOM 20 C2 G A 2 50.249 79.015 48.790 0.00 0.00 C
ATOM 21 N2 G A 2 50.858 79.158 49.975 0.00 0.00 N
ATOM 22 N3 G A 2 50.961 78.904 47.676 0.00 0.00 N
ATOM 23 C4 G A 2 50.170 78.769 46.590 0.00 0.00 C
ATOM 24 P C A 3 53.712 74.058 43.607 0.00 0.00 P
ATOM 25 OP1 C A 3 54.661 73.208 44.373 0.00 0.00 O
ATOM 26 OP2 C A 3 53.842 74.111 42.126 0.00 0.00 O
ATOM 27 O5' C A 3 52.211 73.703 44.008 0.00 0.00 O
ATOM 28 C5' C A 3 51.929 72.736 45.006 0.00 0.00 C
ATOM 29 C4' C A 3 52.302 73.231 46.381 0.00 0.00 C
ATOM 30 O4' C A 3 51.899 74.617 46.542 0.00 0.00 O
ATOM 31 C3' C A 3 51.636 72.516 47.542 0.00 0.00 C
ATOM 32 O3' C A 3 52.263 71.288 47.865 0.00 0.00 O
ATOM 33 C2' C A 3 51.708 73.553 48.651 0.00 0.00 C
ATOM 34 O2' C A 3 53.017 73.609 49.198 0.00 0.00 O
ATOM 35 C1' C A 3 51.462 74.840 47.866 0.00 0.00 C
ATOM 36 N1 C A 3 50.028 75.204 47.821 0.00 0.00 N
ATOM 37 C2 C A 3 49.305 75.539 48.983 0.00 0.00 C
ATOM 38 O2 C A 3 49.854 75.523 50.099 0.00 0.00 O
ATOM 39 N3 C A 3 47.994 75.872 48.865 0.00 0.00 N
ATOM 40 C4 C A 3 47.416 75.881 47.661 0.00 0.00 C
ATOM 41 N4 C A 3 46.130 76.218 47.589 0.00 0.00 N
ATOM 42 C5 C A 3 48.126 75.553 46.471 0.00 0.00 C
ATOM 43 C6 C A 3 49.416 75.230 46.599 0.00 0.00 C
TER 44 C A 3

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