ó Ê™xTc@ stddlmZddlZddlmZddlmZddlmZd„Z e dkrpe ƒdGHndS( iÿÿÿÿ(tdivisionN(tnull_out(t group_args(tStringIOc C sddlm}ddl}ddl}ddlm}d}d}t|ddƒ}|j|ƒWdQX||dƒ}|jj }|jj ƒ}|j j j |dtƒƒ\}}|d ksÎt‚t|d dƒ }|j|jd |ƒƒWdQX|jd |d ddtddddddƒgƒ} |d |ddddddg} tƒ} |jjjd| d| ƒd| jƒks™t‚| jƒjdƒd ksºt‚tj|dƒtj|d ƒtj|dƒtj|d!ƒdS("Niÿÿÿÿ(tmake_fake_anomalous_data(tany_filesgCRYST1 51.491 51.491 35.389 90.00 90.00 120.00 P 31 2 1 SCALE1 0.019421 0.011213 0.000000 0.00000 SCALE2 0.000000 0.022425 0.000000 0.00000 SCALE3 0.000000 0.000000 0.028257 0.00000 HETATM 32 CA CGU A 17 7.453 25.360 36.702 1.00 25.21 C HETATM 33 C CGU A 17 6.252 24.666 36.060 1.00 24.08 C HETATM 34 O CGU A 17 6.408 23.698 35.327 1.00 22.85 O HETATM 35 CB CGU A 17 7.547 24.924 38.163 1.00 28.34 C HETATM 36 CG CGU A 17 8.807 24.090 38.525 1.00 29.46 C HETATM 37 CD1 CGU A 17 9.396 23.286 37.336 1.00 28.04 C HETATM 38 CD2 CGU A 17 8.411 23.255 39.740 1.00 32.29 C HETATM 39 OE11 CGU A 17 10.339 23.775 36.690 1.00 31.46 O HETATM 40 OE12 CGU A 17 8.917 22.160 37.075 1.00 26.97 O HETATM 41 OE21 CGU A 17 7.958 23.926 40.668 1.00 35.00 O HETATM 42 OE22 CGU A 17 8.527 22.036 39.780 1.00 33.69 O ATOM 43 N PRO A 18 5.029 25.135 36.349 1.00 23.16 N ATOM 62 CA ARG A 20 7.902 23.943 32.052 1.00 22.37 C ATOM 63 C ARG A 20 7.515 22.468 32.019 1.00 24.90 C ATOM 64 O ARG A 20 7.956 21.738 31.130 1.00 24.00 O ATOM 65 CB ARG A 20 9.024 24.136 33.067 1.00 26.75 C ATOM 67 CD ARG A 20 10.812 25.597 34.000 1.00 36.42 C HETATM 72 N CGU A 21 6.701 22.022 32.980 1.00 24.22 N HETATM 73 CA CGU A 21 6.293 20.612 33.012 1.00 23.24 C HETATM 74 C CGU A 21 5.432 20.293 31.805 1.00 23.70 C HETATM 75 O CGU A 21 5.561 19.221 31.216 1.00 20.30 O HETATM 76 CB CGU A 21 5.506 20.267 34.289 1.00 24.58 C HETATM 77 CG CGU A 21 6.392 20.445 35.528 1.00 26.52 C HETATM 78 CD1 CGU A 21 7.353 19.249 35.754 1.00 27.96 C HETATM 79 CD2 CGU A 21 5.507 20.718 36.738 1.00 29.78 C HETATM 80 OE11 CGU A 21 8.366 19.406 36.482 1.00 27.23 O HETATM 81 OE12 CGU A 21 7.056 18.159 35.217 1.00 25.25 O HETATM 82 OE21 CGU A 21 4.695 21.625 36.586 1.00 36.91 O HETATM 83 OE22 CGU A 21 5.664 20.139 37.797 1.00 32.02 O ATOM 93 C CYS A 23 7.212 20.248 27.692 1.00 25.63 C ATOM 94 O CYS A 23 7.306 19.599 26.656 1.00 22.02 O HETATM 97 N CGU A 24 7.761 19.852 28.842 1.00 26.69 N HETATM 98 CA CGU A 24 8.527 18.607 28.931 1.00 29.70 C HETATM 99 C CGU A 24 7.665 17.456 28.476 1.00 31.08 C HETATM 100 O CGU A 24 8.143 16.541 27.812 1.00 32.94 O HETATM 101 CB CGU A 24 8.981 18.304 30.367 1.00 26.05 C HETATM 102 CG CGU A 24 9.966 19.357 30.876 1.00 26.18 C HETATM 103 CD1 CGU A 24 11.275 19.290 30.093 1.00 24.75 C HETATM 104 CD2 CGU A 24 10.148 19.172 32.390 1.00 27.43 C HETATM 105 OE11 CGU A 24 12.023 18.293 30.233 1.00 29.79 O HETATM 106 OE12 CGU A 24 11.537 20.244 29.348 1.00 24.99 O HETATM 107 OE21 CGU A 24 9.100 19.190 33.043 1.00 28.87 O HETATM 108 OE22 CGU A 24 11.260 19.084 32.908 1.00 24.87 O ATOM 143 O CYS A 29 10.353 21.841 23.789 1.00 30.74 O ATOM 146 N ASP A 30 9.604 19.770 24.234 1.00 32.83 N ATOM 147 CA ASP A 30 10.776 19.402 25.014 1.00 34.15 C ATOM 148 C ASP A 30 12.026 19.580 24.177 1.00 36.29 C ATOM 149 O ASP A 30 12.937 20.322 24.544 1.00 34.50 O ATOM 150 CB ASP A 30 10.685 17.949 25.464 1.00 33.18 C ATOM 151 CG ASP A 30 11.714 17.607 26.523 1.00 32.22 C ATOM 152 OD1 ASP A 30 12.621 18.428 26.752 1.00 32.53 O ATOM 153 OD2 ASP A 30 11.608 16.524 27.125 1.00 31.78 O ATOM 154 N GLU A 31 12.056 18.885 23.045 1.00 39.34 N ATOM 155 CA GLU A 31 13.186 18.954 22.135 1.00 40.16 C ATOM 172 CA ALA A 33 13.225 23.877 24.346 1.00 39.26 C ATOM 173 C ALA A 33 14.746 23.914 24.481 1.00 38.24 C ATOM 175 CB ALA A 33 12.600 23.326 25.630 1.00 37.33 C ATOM 176 N ASP A 34 15.400 22.799 24.170 1.00 39.56 N ATOM 177 CA ASP A 34 16.857 22.723 24.258 1.00 40.96 C ATOM 180 CB ASP A 34 17.352 21.300 23.976 1.00 40.20 C ATOM 181 CG ASP A 34 17.006 20.327 25.083 1.00 38.93 C ATOM 182 OD1 ASP A 34 16.981 20.742 26.262 1.00 41.79 O ATOM 183 OD2 ASP A 34 16.777 19.140 24.778 1.00 37.45 O TER HETATM 316 CA CA A 71 13.077 17.433 32.271 1.00 22.23 CA HETATM 317 CA CA A 72 13.835 18.867 28.887 1.00 30.50 CA HETATM 318 CA CA A 73 10.897 18.813 35.385 1.00 50.79 CA HETATM 320 O HOH A 75 13.387 22.461 33.530 1.00 24.93 O HETATM 323 O HOH A 78 10.578 15.304 29.567 1.00 23.15 O HETATM 324 O HOH A 79 5.020 20.563 40.636 1.00 44.02 O HETATM 325 O HOH A 80 2.823 22.144 38.546 1.00 36.74 O HETATM 326 O HOH A 81 10.434 22.631 29.604 1.00 25.89 O HETATM 327 O HOH A 82 6.522 15.691 36.473 1.00 27.82 O HETATM 332 O HOH A 87 11.624 15.358 31.822 1.00 24.92 O HETATM 333 O HOH A 88 13.763 16.798 28.667 1.00 29.47 O HETATM 334 O HOH A 89 6.350 16.973 32.340 1.00 37.83 O HETATM 338 O HOH A 93 10.474 21.054 34.739 1.00 25.48 O HETATM 342 O HOH A 97 16.203 18.688 27.720 1.00 28.10 O HETATM 343 O HOH A 98 8.186 14.327 30.477 1.00 49.44 O HETATM 344 O HOH A 99 8.625 16.477 33.868 1.00 48.13 O HETATM 347 O HOH A 102 15.462 16.714 24.789 1.00 42.90 O HETATM 356 O HOH A 111 4.757 17.423 38.879 1.00 34.26 O HETATM 358 O HOH A 113 10.313 14.495 25.452 1.00 40.66 O HETATM 359 O HOH A 114 1.979 18.616 37.760 1.00 34.25 O HETATM 363 O HOH A 118 13.926 20.627 27.271 1.00 29.62 O HETATM 365 O HOH A 120 16.240 23.471 27.700 1.00 48.79 O HETATM 370 O HOH A 125 2.747 18.823 35.170 1.00 50.30 O HETATM 372 O HOH A 127 5.228 23.553 41.559 1.00 42.02 O HETATM 373 O HOH A 128 5.298 21.833 43.473 1.00 41.96 O HETATM 377 O HOH A 132 13.181 22.613 29.210 1.00 35.43 O TER ttst_symmetry_axiss.pdbtwtlogis_in.pdbtcrystal_symmetryt file_basetd_mingø?tanomalous_scattererst selections element CAtfpgtfdpgš™™™™™Ù?s.mtzswavelength=0.9792suse_phaser=Falsesnproc=1sskip_twin_test=Trues elements=CAtargstoutsValence sum: 1.916sProbable cation: CA+2is _fmodel.eff(tmmtbx.regressionRtmmtbx.command_line.water_screentmmtbx.ions.utilstiotbx.file_readerRtopentwritet file_objectt hierarchytxray_structure_simpletionstutilstanonymize_ionsRtAssertionErrort as_pdb_stringtgenerate_mtz_fileRRt command_linet water_screentruntgetvaluetcounttostremove( RtmmtbxRtpdb_inR tfRtxrstntmtz_fileRR((sJ/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/ions/tst_symmetry_axis.pytexercisesJ  a $   !t__main__tOK( t __future__RR&t libtbx.utilsRtlibtbxRt cStringIORR.t__name__(((sJ/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/ions/tst_symmetry_axis.pyts  ‰