From 5771e6a607dac958b1174178b807bf6c5e17a47f Mon Sep 17 00:00:00 2001 From: James Procter Date: Mon, 17 Jul 2023 10:27:23 +0100 Subject: [PATCH] JAL-4223 add testdata for test --- examples/testdata/7WKP-rna1.xml | 491 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 491 insertions(+) create mode 100644 examples/testdata/7WKP-rna1.xml diff --git a/examples/testdata/7WKP-rna1.xml b/examples/testdata/7WKP-rna1.xml new file mode 100644 index 0000000..2703212 --- /dev/null +++ b/examples/testdata/7WKP-rna1.xml @@ -0,0 +1,491 @@ + + + + + + + + + + 1 + 20 + + + + 1 2 3 4 5 6 7 8 9 10 + 11 12 13 14 15 16 17 18 19 20 + + + + GUUAGCAGCC GCAUAGGCUG + + + + LOOP1 + 12 + 14 + + + + + + + Crystallography ? + ? Angstroms + + + 1 + G + + P + 7.232 28.529 -12.305 + + + O3' + 4.752 23.963 -11.820 + + + + 2 + U + + P + 3.868 23.252 -12.962 + + + O3' + 0.983 18.432 -13.409 + + + + 3 + U + + P + 1.438 17.540 -14.670 + + + O3' + -1.417 16.962 -19.633 + + + + 4 + A + + P + -2.710 16.020 -19.430 + + + O3' + -7.138 19.555 -19.112 + + + + 5 + G + + P + -7.829 20.393 -20.298 + + + O3' + -11.316 24.166 -18.659 + + + + 6 + C + + P + -12.021 24.790 -19.958 + + + O3' + -14.686 21.023 -22.223 + + + + 7 + A + + P + -16.102 21.690 -22.577 + + + O3' + -20.284 18.901 -22.582 + + + + 8 + G + + P + -21.555 19.844 -22.854 + + + O3' + -26.285 20.028 -19.599 + + + + 9 + C + + P + -27.355 21.190 -19.880 + + + O3' + -30.900 21.877 -16.104 + + + + 10 + C + + P + -31.737 23.147 -16.621 + + + O3' + -33.685 26.755 -13.690 + + + + 11 + G + + P + -34.360 27.602 -14.877 + + + O3' + -34.025 32.801 -15.050 + + + + 12 + C + + P + -35.037 32.875 -16.296 + + + O3' + -31.850 33.486 -20.341 + + + + 13 + A + + P + -30.767 32.411 -19.837 + + + O3' + -25.756 33.919 -20.714 + + + + 14 + U + + P + -24.465 33.135 -20.171 + + + O3' + -21.219 37.107 -19.013 + + + + 15 + A + + P + -22.129 38.268 -18.376 + + + O3' + -20.542 37.656 -12.798 + + + + 16 + G + + P + -19.666 36.373 -12.391 + + + O3' + -21.101 34.091 -7.803 + + + + 17 + G + + P + -20.251 32.728 -7.687 + + + O3' + -22.951 28.722 -5.266 + + + + 18 + C + + P + -21.797 27.634 -5.014 + + + O3' + -23.692 22.611 -5.084 + + + + 19 + U + + P + -22.583 21.449 -4.989 + + + O3' + -22.919 16.822 -7.040 + + + + 20 + G + + P + -21.585 16.199 -6.397 + + + O3' + -18.522 13.024 -10.277 + + + + + + 1 + + + 2 + + S + H + c + + + + 6 + + + 20 + + + + + + c + + + + 7 + + + 19 + + - + - + c + + + + 8 + + + 18 + + + + + + c + + + + 9 + + + 17 + + + + + + c + + + + 10 + + + 16 + + + + + + c + + + + 11 + + + 15 + + S + H + t + + + + 3 + + + 4 + + ! + ! + ! + + + + 14 + + + 15 + + ! + ! + ! + + + + 6 + + + 20 + + 6 + + + + SG1 + 1 + 5 + + + + + SG2 + 12 + 14 + + + + + + 1 + 133.930 0.000 + + + 2 + 133.930 33.482 + + + 3 + 133.930 66.965 + + + 4 + 133.930 100.447 + + + 5 + 133.930 133.930 + + + 6 + 133.930 167.412 + + + 7 + 133.930 223.216 + + + 8 + 133.930 279.021 + + + 9 + 133.930 334.825 + + + 10 + 133.930 390.629 + + + 11 + 133.930 446.433 + + + 12 + 128.630 516.439 + + + 13 + 66.965 550.000 + + + 14 + 5.300 516.439 + + + 15 + 0.000 446.433 + + + 16 + 0.000 390.629 + + + 17 + 0.000 334.825 + + + 18 + 0.000 279.021 + + + 19 + 0.000 223.216 + + + 20 + 0.000 167.412 + + + + + + + + + + + + -- 1.7.10.2