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Merge branch 'master' of github.com:mmagnus/rna-tools
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# Conflicts:
#	rna_tools/tools/triplexibility/triplexibility.py
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mmagnus committed Jan 21, 2022
2 parents e1d503f + 4263cbc commit e3595db
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67 changes: 67 additions & 0 deletions rna_tools/tools/triplexibility/data/still-wrong/0.90-Triple_tHW_tHH_ACA_rpr_renm.pdb
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ATOM 1 P C A 29 311.625 275.801 304.495 1.00 99.99 P
ATOM 2 C5' C A 29 310.367 276.034 306.773 1.00 99.99 C
ATOM 3 O5' C A 29 310.391 275.529 305.448 1.00 99.99 O
ATOM 4 C4' C A 29 309.047 275.714 307.457 1.00 99.99 C
ATOM 5 O4' C A 29 308.000 276.564 306.884 1.00 99.99 O
ATOM 6 C3' C A 29 308.471 274.299 307.326 1.00 99.99 C
ATOM 7 O3' C A 29 308.992 273.381 308.275 1.00 99.99 O
ATOM 8 C2' C A 29 306.989 274.536 307.603 1.00 99.99 C
ATOM 9 O2' C A 29 306.640 274.632 308.963 1.00 99.99 O
ATOM 10 C1' C A 29 306.761 275.871 306.887 1.00 99.99 C
ATOM 11 N1 C A 29 306.383 275.575 305.457 1.00 99.99 N
ATOM 12 C2 C A 29 305.041 275.161 305.238 1.00 99.99 C
ATOM 13 O2 C A 29 304.271 275.147 306.180 1.00 99.99 O
ATOM 14 N3 C A 29 304.725 274.804 303.944 1.00 99.99 N
ATOM 15 C4 C A 29 305.644 274.859 303.003 1.00 99.99 C
ATOM 16 N4 C A 29 305.262 274.493 301.753 1.00 99.99 N
ATOM 17 C5 C A 29 307.007 275.277 303.214 1.00 99.99 C
ATOM 18 C6 C A 29 307.328 275.632 304.488 1.00 99.99 C
ATOM 19 OP1 C A 29 312.853 275.467 305.211 1.00 99.99 O
ATOM 20 OP2 C A 29 311.415 275.160 303.164 1.00 99.99 O1-
ATOM 21 P A A 53 303.170 275.636 296.490 1.00 99.99 P
ATOM 22 C5' A A 53 300.968 274.243 296.103 1.00 99.99 C
ATOM 23 O5' A A 53 301.788 275.035 296.991 1.00 99.99 O
ATOM 24 C4' A A 53 299.967 273.442 296.896 1.00 99.99 C
ATOM 25 O4' A A 53 300.662 272.506 297.768 1.00 99.99 O
ATOM 26 C3' A A 53 299.123 274.245 297.863 1.00 99.99 C
ATOM 27 O3' A A 53 298.064 274.905 297.185 1.00 99.99 O
ATOM 28 C2' A A 53 298.630 273.173 298.812 1.00 99.99 C
ATOM 29 O2' A A 53 297.621 272.370 298.225 1.00 99.99 O
ATOM 30 C1' A A 53 299.895 272.308 298.951 1.00 99.99 C
ATOM 31 N1 A A 53 299.969 272.801 304.052 1.00 99.99 N
ATOM 32 C2 A A 53 299.042 272.308 303.201 1.00 99.99 C
ATOM 33 N3 A A 53 299.090 272.207 301.868 1.00 99.99 N
ATOM 34 C4 A A 53 300.253 272.681 301.399 1.00 99.99 C
ATOM 35 C5 A A 53 301.308 273.221 302.142 1.00 99.99 C
ATOM 36 C6 A A 53 301.117 273.265 303.541 1.00 99.99 C
ATOM 37 N6 A A 53 302.058 273.762 304.374 1.00 99.99 N
ATOM 38 N7 A A 53 302.359 273.615 301.340 1.00 99.99 N
ATOM 39 C8 A A 53 301.939 273.315 300.120 1.00 99.99 C
ATOM 40 N9 A A 53 300.686 272.755 300.093 1.00 99.99 N
ATOM 41 OP1 A A 53 302.940 276.309 295.186 1.00 99.99 O
ATOM 42 OP2 A A 53 303.901 276.365 297.524 1.00 99.99 O1-
TER
ATOM 43 P A B 27 307.263 269.083 300.006 1.00 99.99 P
ATOM 44 C5' A B 27 306.177 269.326 297.631 1.00 99.99 C
ATOM 45 O5' A B 27 307.268 269.623 298.513 1.00 99.99 O
ATOM 46 C4' A B 27 306.231 270.232 296.432 1.00 99.99 C
ATOM 47 O4' A B 27 305.999 271.595 296.882 1.00 99.99 O
ATOM 48 C3' A B 27 307.573 270.247 295.706 1.00 99.99 C
ATOM 49 O3' A B 27 307.369 270.476 294.318 1.00 99.99 O
ATOM 50 C2' A B 27 308.271 271.443 296.349 1.00 99.99 C
ATOM 51 O2' A B 27 309.297 272.009 295.557 1.00 99.99 O
ATOM 52 C1' A B 27 307.099 272.408 296.538 1.00 99.99 C
ATOM 53 N1 A B 27 309.112 276.971 297.786 1.00 99.99 N
ATOM 54 C2 A B 27 308.986 276.330 296.604 1.00 99.99 C
ATOM 55 N3 A B 27 308.421 275.146 296.343 1.00 99.99 N
ATOM 56 C4 A B 27 307.941 274.592 297.465 1.00 99.99 C
ATOM 57 C5 A B 27 307.991 275.123 298.760 1.00 99.99 C
ATOM 58 C6 A B 27 308.618 276.382 298.884 1.00 99.99 C
ATOM 59 N6 A B 27 308.733 277.007 300.078 1.00 99.99 N
ATOM 60 N7 A B 27 307.401 274.289 299.686 1.00 99.99 N
ATOM 61 C8 A B 27 306.998 273.260 298.955 1.00 99.99 C
ATOM 62 N9 A B 27 307.293 273.387 297.620 1.00 99.99 N
ATOM 63 OP1 A B 27 306.996 267.623 299.970 1.00 99.99 O
ATOM 64 OP2 A B 27 308.489 269.586 300.672 1.00 99.99 O1-
TER
END
67 changes: 67 additions & 0 deletions rna_tools/tools/triplexibility/data/still-wrong/0.90-Triple_tHW_tHH_ACA_rpr_renm_fx.pdb
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ATOM 21 P A A 1 303.170 275.636 296.490 1.00 99.99 P
ATOM 22 C5' A A 1 300.968 274.243 296.103 1.00 99.99 C
ATOM 23 O5' A A 1 301.788 275.035 296.991 1.00 99.99 O
ATOM 24 C4' A A 1 299.967 273.442 296.896 1.00 99.99 C
ATOM 25 O4' A A 1 300.662 272.506 297.768 1.00 99.99 O
ATOM 26 C3' A A 1 299.123 274.245 297.863 1.00 99.99 C
ATOM 27 O3' A A 1 298.064 274.905 297.185 1.00 99.99 O
ATOM 28 C2' A A 1 298.630 273.173 298.812 1.00 99.99 C
ATOM 29 O2' A A 1 297.621 272.370 298.225 1.00 99.99 O
ATOM 30 C1' A A 1 299.895 272.308 298.951 1.00 99.99 C
ATOM 31 N1 A A 1 299.969 272.801 304.052 1.00 99.99 N
ATOM 32 C2 A A 1 299.042 272.308 303.201 1.00 99.99 C
ATOM 33 N3 A A 1 299.090 272.207 301.868 1.00 99.99 N
ATOM 34 C4 A A 1 300.253 272.681 301.399 1.00 99.99 C
ATOM 35 C5 A A 1 301.308 273.221 302.142 1.00 99.99 C
ATOM 36 C6 A A 1 301.117 273.265 303.541 1.00 99.99 C
ATOM 37 N6 A A 1 302.058 273.762 304.374 1.00 99.99 N
ATOM 38 N7 A A 1 302.359 273.615 301.340 1.00 99.99 N
ATOM 39 C8 A A 1 301.939 273.315 300.120 1.00 99.99 C
ATOM 40 N9 A A 1 300.686 272.755 300.093 1.00 99.99 N
ATOM 41 OP1 A A 1 302.940 276.309 295.186 1.00 99.99 O
ATOM 42 OP2 A A 1 303.901 276.365 297.524 1.00 99.99 O1-

ATOM 1 P C A 2 311.625 275.801 304.495 1.00 99.99 P
ATOM 2 C5' C A 2 310.367 276.034 306.773 1.00 99.99 C
ATOM 3 O5' C A 2 310.391 275.529 305.448 1.00 99.99 O
ATOM 4 C4' C A 2 309.047 275.714 307.457 1.00 99.99 C
ATOM 5 O4' C A 2 308.000 276.564 306.884 1.00 99.99 O
ATOM 6 C3' C A 2 308.471 274.299 307.326 1.00 99.99 C
ATOM 7 O3' C A 2 308.992 273.381 308.275 1.00 99.99 O
ATOM 8 C2' C A 2 306.989 274.536 307.603 1.00 99.99 C
ATOM 9 O2' C A 2 306.640 274.632 308.963 1.00 99.99 O
ATOM 10 C1' C A 2 306.761 275.871 306.887 1.00 99.99 C
ATOM 11 N1 C A 2 306.383 275.575 305.457 1.00 99.99 N
ATOM 12 C2 C A 2 305.041 275.161 305.238 1.00 99.99 C
ATOM 13 O2 C A 2 304.271 275.147 306.180 1.00 99.99 O
ATOM 14 N3 C A 2 304.725 274.804 303.944 1.00 99.99 N
ATOM 15 C4 C A 2 305.644 274.859 303.003 1.00 99.99 C
ATOM 16 N4 C A 2 305.262 274.493 301.753 1.00 99.99 N
ATOM 17 C5 C A 2 307.007 275.277 303.214 1.00 99.99 C
ATOM 18 C6 C A 2 307.328 275.632 304.488 1.00 99.99 C
ATOM 19 OP1 C A 2 312.853 275.467 305.211 1.00 99.99 O
ATOM 20 OP2 C A 2 311.415 275.160 303.164 1.00 99.99 O1-

ATOM 43 P A A 3 307.263 269.083 300.006 1.00 99.99 P
ATOM 44 C5' A A 3 306.177 269.326 297.631 1.00 99.99 C
ATOM 45 O5' A A 3 307.268 269.623 298.513 1.00 99.99 O
ATOM 46 C4' A A 3 306.231 270.232 296.432 1.00 99.99 C
ATOM 47 O4' A A 3 305.999 271.595 296.882 1.00 99.99 O
ATOM 48 C3' A A 3 307.573 270.247 295.706 1.00 99.99 C
ATOM 49 O3' A A 3 307.369 270.476 294.318 1.00 99.99 O
ATOM 50 C2' A A 3 308.271 271.443 296.349 1.00 99.99 C
ATOM 51 O2' A A 3 309.297 272.009 295.557 1.00 99.99 O
ATOM 52 C1' A A 3 307.099 272.408 296.538 1.00 99.99 C
ATOM 53 N1 A A 3 309.112 276.971 297.786 1.00 99.99 N
ATOM 54 C2 A A 3 308.986 276.330 296.604 1.00 99.99 C
ATOM 55 N3 A A 3 308.421 275.146 296.343 1.00 99.99 N
ATOM 56 C4 A A 3 307.941 274.592 297.465 1.00 99.99 C
ATOM 57 C5 A A 3 307.991 275.123 298.760 1.00 99.99 C
ATOM 58 C6 A A 3 308.618 276.382 298.884 1.00 99.99 C
ATOM 59 N6 A A 3 308.733 277.007 300.078 1.00 99.99 N
ATOM 60 N7 A A 3 307.401 274.289 299.686 1.00 99.99 N
ATOM 61 C8 A A 3 306.998 273.260 298.955 1.00 99.99 C
ATOM 62 N9 A A 3 307.293 273.387 297.620 1.00 99.99 N
ATOM 63 OP1 A A 3 306.996 267.623 299.970 1.00 99.99 O
ATOM 64 OP2 A A 3 308.489 269.586 300.672 1.00 99.99 O1-

68 changes: 68 additions & 0 deletions rna_tools/tools/triplexibility/data/still-wrong/312.pdb
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@@ -0,0 +1,68 @@
ATOM 43 P A A 3 307.263 269.083 300.006 1.00 99.99 P
ATOM 44 C5' A A 3 306.177 269.326 297.631 1.00 99.99 C
ATOM 45 O5' A A 3 307.268 269.623 298.513 1.00 99.99 O
ATOM 46 C4' A A 3 306.231 270.232 296.432 1.00 99.99 C
ATOM 47 O4' A A 3 305.999 271.595 296.882 1.00 99.99 O
ATOM 48 C3' A A 3 307.573 270.247 295.706 1.00 99.99 C
ATOM 49 O3' A A 3 307.369 270.476 294.318 1.00 99.99 O
ATOM 50 C2' A A 3 308.271 271.443 296.349 1.00 99.99 C
ATOM 51 O2' A A 3 309.297 272.009 295.557 1.00 99.99 O
ATOM 52 C1' A A 3 307.099 272.408 296.538 1.00 99.99 C
ATOM 53 N1 A A 3 309.112 276.971 297.786 1.00 99.99 N
ATOM 54 C2 A A 3 308.986 276.330 296.604 1.00 99.99 C
ATOM 55 N3 A A 3 308.421 275.146 296.343 1.00 99.99 N
ATOM 56 C4 A A 3 307.941 274.592 297.465 1.00 99.99 C
ATOM 57 C5 A A 3 307.991 275.123 298.760 1.00 99.99 C
ATOM 58 C6 A A 3 308.618 276.382 298.884 1.00 99.99 C
ATOM 59 N6 A A 3 308.733 277.007 300.078 1.00 99.99 N
ATOM 60 N7 A A 3 307.401 274.289 299.686 1.00 99.99 N
ATOM 61 C8 A A 3 306.998 273.260 298.955 1.00 99.99 C
ATOM 62 N9 A A 3 307.293 273.387 297.620 1.00 99.99 N
ATOM 63 OP1 A A 3 306.996 267.623 299.970 1.00 99.99 O
ATOM 64 OP2 A A 3 308.489 269.586 300.672 1.00 99.99 O1-

ATOM 21 P A A 1 303.170 275.636 296.490 1.00 99.99 P
ATOM 22 C5' A A 1 300.968 274.243 296.103 1.00 99.99 C
ATOM 23 O5' A A 1 301.788 275.035 296.991 1.00 99.99 O
ATOM 24 C4' A A 1 299.967 273.442 296.896 1.00 99.99 C
ATOM 25 O4' A A 1 300.662 272.506 297.768 1.00 99.99 O
ATOM 26 C3' A A 1 299.123 274.245 297.863 1.00 99.99 C
ATOM 27 O3' A A 1 298.064 274.905 297.185 1.00 99.99 O
ATOM 28 C2' A A 1 298.630 273.173 298.812 1.00 99.99 C
ATOM 29 O2' A A 1 297.621 272.370 298.225 1.00 99.99 O
ATOM 30 C1' A A 1 299.895 272.308 298.951 1.00 99.99 C
ATOM 31 N1 A A 1 299.969 272.801 304.052 1.00 99.99 N
ATOM 32 C2 A A 1 299.042 272.308 303.201 1.00 99.99 C
ATOM 33 N3 A A 1 299.090 272.207 301.868 1.00 99.99 N
ATOM 34 C4 A A 1 300.253 272.681 301.399 1.00 99.99 C
ATOM 35 C5 A A 1 301.308 273.221 302.142 1.00 99.99 C
ATOM 36 C6 A A 1 301.117 273.265 303.541 1.00 99.99 C
ATOM 37 N6 A A 1 302.058 273.762 304.374 1.00 99.99 N
ATOM 38 N7 A A 1 302.359 273.615 301.340 1.00 99.99 N
ATOM 39 C8 A A 1 301.939 273.315 300.120 1.00 99.99 C
ATOM 40 N9 A A 1 300.686 272.755 300.093 1.00 99.99 N
ATOM 41 OP1 A A 1 302.940 276.309 295.186 1.00 99.99 O
ATOM 42 OP2 A A 1 303.901 276.365 297.524 1.00 99.99 O1-

ATOM 1 P C A 2 311.625 275.801 304.495 1.00 99.99 P
ATOM 2 C5' C A 2 310.367 276.034 306.773 1.00 99.99 C
ATOM 3 O5' C A 2 310.391 275.529 305.448 1.00 99.99 O
ATOM 4 C4' C A 2 309.047 275.714 307.457 1.00 99.99 C
ATOM 5 O4' C A 2 308.000 276.564 306.884 1.00 99.99 O
ATOM 6 C3' C A 2 308.471 274.299 307.326 1.00 99.99 C
ATOM 7 O3' C A 2 308.992 273.381 308.275 1.00 99.99 O
ATOM 8 C2' C A 2 306.989 274.536 307.603 1.00 99.99 C
ATOM 9 O2' C A 2 306.640 274.632 308.963 1.00 99.99 O
ATOM 10 C1' C A 2 306.761 275.871 306.887 1.00 99.99 C
ATOM 11 N1 C A 2 306.383 275.575 305.457 1.00 99.99 N
ATOM 12 C2 C A 2 305.041 275.161 305.238 1.00 99.99 C
ATOM 13 O2 C A 2 304.271 275.147 306.180 1.00 99.99 O
ATOM 14 N3 C A 2 304.725 274.804 303.944 1.00 99.99 N
ATOM 15 C4 C A 2 305.644 274.859 303.003 1.00 99.99 C
ATOM 16 N4 C A 2 305.262 274.493 301.753 1.00 99.99 N
ATOM 17 C5 C A 2 307.007 275.277 303.214 1.00 99.99 C
ATOM 18 C6 C A 2 307.328 275.632 304.488 1.00 99.99 C
ATOM 19 OP1 C A 2 312.853 275.467 305.211 1.00 99.99 O
ATOM 20 OP2 C A 2 311.415 275.160 303.164 1.00 99.99 O1-


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