ó ‹™xTc@ srddlmZddlmZddlmZddlmZmZd„Z d„Z e dkrne ƒndS( iÿÿÿÿ(tdivision(tpdb(tflex(tException_expectedt show_diffcC sKtjdddtjdƒƒ}|jƒ}|jd|jƒƒ}|j|j ƒks`t ‚|j }|dƒj ƒdks‡t ‚|dƒj ƒ|jks¨t ‚|dƒj ƒdksÆt ‚|d d t ƒj ƒdksêt ‚|d d tƒdkst ‚|d ƒj ƒdks&t ‚|d ƒj ƒ|jksGt ‚t|d ƒƒdddddgkstt ‚t|dƒƒgks’t ‚t|dƒƒdddddgks¿t ‚t|dƒƒdddddgksìt ‚t|dƒƒddgkst ‚x´ddgD]¦}t|d|ƒƒdgksHt ‚t|d|ƒƒdgksmt ‚t|d|ƒƒddd gks˜t ‚t|d!|ƒƒddd gkst ‚qWt|d"ƒƒd#gksèt ‚t|d$ƒƒd%d&d'd(d)gkst ‚t|d*ƒƒd%d&d'd(d)gksBt ‚t|d+ƒƒd%d&d'd(d)gksot ‚t|d,ƒƒd%d&d'd(d)gksœt ‚t|d-ƒƒd.gks½t ‚t|d/ƒƒd0d.gksát ‚t|d1ƒƒd0d.gkst ‚t|d2ƒƒd0d.gks)t ‚t|d3ƒƒd0d.gksMt ‚t|d4ƒƒd5d6d7d8d9gkszt ‚t|d:ƒƒd;d<d=d>d?d@dAdBgks°t ‚t|dCƒƒdBd'd(d)gksÚt ‚t|dDƒƒd%d&d'd(d)gkst ‚t|dDƒƒd%d&d'd(d)gks4t ‚t|dEƒƒdd5dFdGdHdIdJdKdLdMdNdOg ksvt ‚t|dPƒƒtdd ƒdQdRdSdTdUdVgks³t ‚t|dWƒƒdXdYgks×t ‚t|dZƒƒtd[ƒtdJd\ƒkst ‚t|d]ƒƒtddƒdQdRdSdTdUdVgksEt ‚t|d^ƒƒd%d&d'd(d)gksrt ‚t|d_ƒƒd#gks“t ‚t|d`ƒƒd%d&d'd(d)d#gksÃt ‚t|daƒƒd\dbgksçt ‚t|dcƒƒdbddgks t ‚t|deƒƒtdfƒks/t ‚t|dgƒƒdddhdidjgks\t ‚t|dkƒƒdldmdndogks†t ‚t|dpƒƒdddhdidjgks³t ‚t|dqƒƒdldmdndogksÝt ‚t|drƒƒdHdldmdndogks t ‚t|dsƒƒd;d&gks.t ‚t|dtƒƒd0dmd.dugksXt ‚t|dvƒƒd%d&d'd(d)gks…t ‚t|dwƒƒd d0dxdydmd.dugks¸t ‚t|dzƒƒdNdOd{gksßt ‚t|d|ƒƒdNdOgks t ‚t|d}ƒƒd{gks$ t ‚t|d~ƒƒgksB t ‚t|dƒƒtd ƒdJdKdQdRdLdMdSdNdTdUdOdVg ksŽ t ‚tdd ƒdQdRdSdNdTdUdOdVg}t|d€ƒƒ|ks× t ‚t|dƒƒ|ksõ t ‚t|d‚ƒƒ|ks t ‚tdd[ƒdQdRdXdSdNdTdUdOdVdYd{g }t|dƒƒƒ|kse t ‚d6d0d8d9g}t|d„ƒƒ|ks• t ‚t|d…ƒƒ|ks³ t ‚t|d†ƒƒ|ksÑ t ‚t|d‡ƒƒ|ksï t ‚d5d6d0g}t|dˆƒƒ|ks t ‚t|d‰ƒƒ|ks: t ‚t|dŠƒƒ|ksX t ‚t|d‹ƒƒ|ksv t ‚d0d8d9g}t|dŒƒƒ|ks£ t ‚t|dƒƒ|ksÁ t ‚t|dŽƒƒ|ksß t ‚t|dƒƒ|ksý t ‚t|dƒƒd0gks t ‚d5d6d0d8d9g}t|d‘ƒƒ|ksQ t ‚t|d’ƒƒ|kso t ‚t|d“ƒƒd#gks t ‚t|d”ƒƒd&d'd(d)gksº t ‚t|d•ƒƒd%gksÛ t ‚t|d–ƒƒd5dGgksÿ t ‚t|d—ƒƒtd[ƒks# t ‚t|d˜ƒƒd#dXdSdNdOdVdYd\dbddd{g ksb t ‚t|d™ƒƒt|dšƒƒkoë d[d;d<d=d>ddd?dd@ddAdd›dœdddždBddŸd d¡d¢d%d&d'd(d)d#gknsö t ‚t|d£ƒƒd6d¤d¥d d0dxdydmd.dudd8dd9dRdSdUgksGt ‚y|d¦ƒWn:tjjk r‘}t|ƒjd§ƒdks˜t ‚nXt‚y|d¨ƒWn:tjjk râ}t|ƒjd©ƒdksét ‚nXt‚y|dªƒWn:tjjk r3}t|ƒjd«ƒdks:t ‚nXt‚xŠd¬d­d®d¯d°d±d²d³d´dµg D]d}y|d¶|ƒWnDtjjk r¼}t|ƒjd·|ƒsÃt t|ƒƒ‚q_Xt‚q_W|jd¸d¹ƒ}t|ƒd5ksñt ‚t|dƒd5d6d0d8d9gkst ‚|jƒ} x+|dD]} | | jd¹ks3t ‚q3W|jd¦dºƒ}t|ƒd5ks€t ‚t|dƒdXdYgks¢t ‚| jƒ|jd»ƒ}|jt ƒd5ksÖt ‚tjjd¼|d½| ƒ} | jt ƒdks t ‚gd¾jƒD]} tj j!d¿| ƒ^q} d%gd&ggd%gd'gggggg}xQt"| |ƒD]@\}}g|j#|ƒD]}t|ƒ^q“|kswt ‚qwWtjdddtjdÀƒƒjƒ}|jƒ}|j }t|dÁƒƒdd5dFgkst ‚t|dƒƒdGdHdIgksEt ‚t|dÃtdƒksit ‚t|dăƒd5dFdIgkst ‚t|dŃƒd5dFdIgks·t ‚t|dƃƒd5dFdIgksÞt ‚tjdddtjdǃƒjƒ}|jƒ}|j }t|dăƒd5dFdIgksAt ‚t|dŃƒd5dFdIgksht ‚t|dƃƒd5dFdIgkst ‚t|dÁƒƒdd5dFgks¶t ‚t|dƒƒgksÔt ‚t|dȃƒgksòt ‚t|dɃƒdGdHdIgkst ‚tjdddtjdʃƒjƒ}|jƒ}|j }t|d—ƒƒdd5dIdd6d¤d¥dld7g ksŽt ‚xjdËdÌgD]\}y||ƒWn?tjjk rð}t$t|ƒdÍ||fƒ s÷t ‚q›Xt‚q›Wy|d΃Wn5tjjk r@}t$t|ƒdσ sGt ‚nXt‚tjdddtjdЃƒjƒ}|jƒ}|j d˜ƒj ƒdks›t ‚tjdddtjdуƒjƒ}|jƒ}|j dÒƒ}|j ƒdHksõt ‚|j dÓƒ}|j ƒd6kst ‚y|j dÔƒ}Wntjjk rJ}nXt‚tjdddtjdÕƒƒjƒ}|jƒ}|j dÖƒ}t|ƒdFdd6d¤d¥gksºt ‚|j d׃}t|ƒdd6d¤d¥gksít ‚tjdddtjd؃ƒjƒ}|jƒ}|j }t|dÙƒƒd5dFdd6gksSt ‚t|dÚƒƒdIdd6gkszt ‚t|dÛƒƒdGdHgksžt ‚t|d܃ƒdd5dFdGdHdIgksÎt ‚t|d݃ƒdGdd6gksõt ‚t|dÞƒƒdd6gkst ‚y|d߃Wntjjk r@nXt‚dS(àNt source_infotlinessŠCRYST1 50.800 50.800 155.300 90.00 90.00 90.00 P 43 21 2 8 MODEL 1 ATOM 4 N SER 1 8.753 29.755 61.685 1.00 49.13 ATOM 5 CA SER 1 9.242 30.200 62.974 1.00 46.62 ANISOU 5 CA SER 1 343 490 2719 -45 -169 617 ATOM 6 C SER 1 10.453 29.500 63.579 1.00 41.99 ATOM 7 O SER 1 10.593 29.607 64.814 1.00 43.24 ANISOU 7 O SER 1 343 490 2719 -45 -169 617 ATOM 8 CB SER 1 8.052 30.189 63.974 1.00 53.00 ATOM 9 OG SER 1 7.294 31.409 63.930 1.00 57.79 ATOM 10 N ARG 2 11.360 28.819 62.827 1.00 36.48 ATOM 11 CA ARG 2 12.548 28.316 63.532 1.00 30.20 ATOM 12 C ARG 2 13.502 29.501 63.500 1.00 25.54 ATOM 13 O ARG 2 13.730 30.037 62.407 1.00 23.86 ATOM 14 CB ARG 2 13.241 27.119 62.861 1.00 27.44 ATOM 15 CG ARG 2 12.412 25.849 62.964 1.00 23.66 ATOM 16 CD ARG 2 13.267 24.651 63.266 1.00 23.98 ATOM 17 NE ARG 2 13.948 24.115 62.135 1.00 22.71 ATOM 18 CZ ARG 2 15.114 23.487 62.201 1.00 21.38 ATOM 19 NH1 ARG 2 15.845 23.331 63.301 1.00 19.34 ATOM 20 NH2 ARG 2 15.575 23.030 61.051 1.00 26.66 ATOM 21 N PRO 3J 13.947 29.997 64.680 1.00 22.94 ATOM 22 CA PRO 3J 14.902 31.100 64.827 1.00 20.19 ATOM 23 C PRO 3J 16.195 30.718 64.086 1.00 18.44 ATOM 24 O PRO 3J 16.545 29.521 64.086 1.00 19.76 ATOM 25 CB PRO 3J 15.133 31.218 66.313 1.00 19.17 ATOM 26 CG PRO 3J 14.065 30.364 66.951 1.00 15.12 ATOM 27 CD PRO 3J 13.816 29.289 65.966 1.00 19.56 ATOM 28 N AILE 4 16.953 31.648 63.512 1.00 15.29 ATOM 29 CA AILE 4 18.243 31.372 62.859 1.00 14.32 ATOM 30 C AILE 4 19.233 32.112 63.743 1.00 13.54 ATOM 31 O AILE 4 19.105 33.315 64.009 1.00 11.84 ATOM 32 CB AILE 4 18.298 31.951 61.406 1.00 13.62 ATOM 33 CG1AILE 4 17.157 31.300 60.620 1.00 18.39 ATOM 34 CG2AILE 4 19.661 31.747 60.743 1.00 13.64 ATOM 35 CD1AILE 4 16.879 32.102 59.355 1.00 16.69 ATOM 28 N BILE 4 16.953 31.648 63.512 1.00 15.29 ATOM 29 CA BILE 4 18.243 31.372 62.859 1.00 14.32 ATOM 30 C BILE 4 19.233 32.112 63.743 1.00 13.54 ATOM 31 O BILE 4 19.105 33.315 64.009 1.00 11.84 ATOM 32 CB BILE 4 18.298 31.951 61.406 1.00 13.62 ATOM 33 CG1BILE 4 17.157 31.300 60.620 1.00 18.39 ATOM 34 CG2BILE 4 19.661 31.747 60.743 1.00 13.64 ATOM1200035 CD1BILE 4 16.879 32.102 59.355 1.00 16.69 TER 36 ILE 4 ENDMDL MODEL 2 HETATM 1451 PA 5GP H 187 29.875 44.488 69.823 1.00 19.62 HETATM 1452 O1A 5GP H 187 28.526 44.888 69.143 1.00 19.86 HETATM 1453 O2A 5GP H 187 30.764 44.617 68.702 1.00 23.42 HETATM 1454 O3A 5GP H 187 30.319 45.004 71.073 1.00 20.20 HETATM 1455 O5* 5GP H 187 29.683 43.016 70.027 1.00 20.32 HETATM 1456 C5* 5GP H 187 30.740 42.297 70.837 1.00 21.47 HETATM 1457 C4* 5GP H 187 30.677 40.747 70.770 1.00 21.56 HETATM 1458 O4* 5GP H 187 29.608 40.160 71.599 1.00 20.50 HETATM 1459 C3* 5GP H 187 30.547 40.121 69.352 1.00 20.18 HETATM 1460 O3* 5GP H 187 31.228 38.864 69.416 1.00 23.65 HETATM 1461 C2* 5GP H 187 29.031 39.871 69.248 1.00 18.78 HETATM 1462 O2* 5GP H 187 28.685 38.690 68.496 1.00 20.45 HETATM 1463 C1* 5GP H 187 28.634 39.641 70.688 1.00 17.09 HETATM 1464 N9 5GP H 187 27.238 39.525 71.076 1.00 15.35 HETATM 1465 C8 5GP H 187 26.330 40.535 70.852 1.00 12.57 HETATM 1466 N7' 5GP H 187 25.175 40.314 71.417 1.00 12.88 HETATM 1467 C5 5GP H 187 25.278 39.082 72.070 1.00 10.75 HETATM 1468 C6 5GP H 187 24.326 38.354 72.827 1.00 9.77 HETATM 1469 O6 5GP H 187 23.169 38.678 73.029 1.00 8.66 HETATM 1470 N1' 5GP H 187 24.836 37.190 73.270 1.00 9.67 HETATM 1471 C2 5GP H 187 26.075 36.701 73.001 1.00 9.84 HETATM 1472 N2 5GP H 187 26.361 35.490 73.520 1.00 9.77 HETATM 1473 N3 5GP H 187 27.005 37.353 72.310 1.00 10.31 HETATM 1474 C4 5GP H 187 26.583 38.559 71.844 1.00 12.50 ENDMDL MODEL 3 HETATM 1475 S SO4 S 188 31.424 42.923 60.396 1.00 55.69 S4+ HETATM 1476 O1 SO4 S 188 31.631 41.513 60.336 1.00 59.84 o1- HETATM 1477 O2 SO4 S 188 32.533 43.699 59.932 1.00 49.98 O1- HETATM 1478 O3 SO4 S 188 31.128 43.217 61.738 1.00 59.44 O1- HETATM 1479 O4 SO4 S 188 30.353 43.201 59.539 1.00 60.54 O1- HETATM 1480 O HOH W 200 29.478 23.354 61.364 1.00 8.67 WATE ATOM 2000 A1 AAA X 1 8.753 29.755 61.685 1.00 49.13 ATOM 2001 A2 AAA X 1 9.242 30.200 62.974 1.00 46.62 ATOM 2002 A1 BBB X 2 11.360 28.819 62.827 1.00 36.48 ATOM 2003 A2 BBB X 2 12.548 28.316 63.532 1.00 30.20 ATOM 2004 A1 AAA Y 1 8.753 29.755 61.685 1.00 49.13 ATOM 2005 A2 AAA Y 1 9.242 30.200 62.974 1.00 46.62 ATOM 2006 A1 CCC Y 5 9.242 30.200 62.974 1.00 46.62 ATOM 2007 A2 BBB Y 2 12.548 28.316 63.532 1.00 30.20 ATOM 2008 A1 AAA Z 1K 8.753 29.755 61.685 1.00 49.13 ATOM 2009 A1 BBB Z 2 11.360 28.819 62.827 1.00 36.48 ATOM 2010 A2 BBB Z 2 12.548 28.316 63.532 1.00 30.20 ATOM 2011 A1 AAAZZ 1K 8.753 29.755 61.685 1.00 49.13 ATOM 2012 A1 BBBZZ 2 11.360 28.819 62.827 1.00 36.48 ATOM 2013 A1 CCCZZ 5 9.242 30.200 62.974 1.00 46.62 ATOM 2014 A1 CCCZZA001 9.242 30.200 62.974 1.00 46.62 ATOM 2015 A1 CCCZZA002 9.242 30.200 62.974 1.00 46.62 ATOM 2016 A1 CCCZZA003 9.242 30.200 62.974 1.00 46.62 ATOM 2017 A1 AAAUU 1K 8.753 29.755 61.685 1.00 49.13 ENDMDL END tspecial_position_settingstitalltnones optional nonetoptionalsnot allsnot nones name c?\*i-i.i0i2i4s name 'C?\*'s name ' C?\*'s name ' c?\*'sname n?'i7i;sand saltloc a %sname nisaltloc b %sname ni saltloc ' ' %sname niisaltid ' ' %sname ns resname hohiEs resname SO4i@iAiBiCiDs resname so4s resname So4s resname S?4sresname pro and name cgis$resname pro and (name cg or name ca)is$resname pro AND (name cg or name ca)s$resname pro and (name cg OR name ca)s$resname pro AND (name cg OR name ca)s(not resname pro and (name cg or name ca)iii ii!schain h and name o*i)i*i+i,i/i1i3i:s%(chain h or chain s) and name o[2-46]s resseq 188s resseq 1:1iiiiiFiGiJiKiNiQs resseq 2:2iHiIiMiOiPiRs resseq 5:5iLiSs resseq 1:5i(iTs resseq 2:3sresseq 188:188sresseq 200:200sresseq 188:200sresseq 9999:A002iUsresseq A002:A003iVsresseq :iXsresseq :2 and name n*i iisresseq 2: and name cbi iii$sresseq 1:2 and name n*sresseq 2:4 and name cbsmodel 1 and name cbsmodel 2:3 and name o1*sicode j and name c?is resid 188sresid 3Jiisresid 1KiWs resid ' 1K's resid ' 1K 's resi ' 1K's resid 1:2s resid 1K:2sresid ' 1K:2'sresid ' 1K:2'sresi ' 1K: 1K 'sresseq 2:4 and name casresseq 2 : 4 and name casresseq 2: 4 and name casresseq 2 :4 and name casresseq :3 and name casresseq : 3 and name casname ca and resseq :3sname ca and resseq : 3sresseq 3: and name casresseq 3 : and name casname ca and resseq 3:sname ca and resseq 3 :sname ca and resseq 3sresseq : and name casname ca and resseq :s segid wates element os charge 4+tanisoutpepnamestsingle_atom_residuetheterothetatmi5i6i8i9i<i=i>i?swithin(3, resname PRO)ii tresseqsMissing argument for resseq.s resseq 3:2s/range with first index > last index: resseq 3:2sresid ' 1K :2's1range with first index > last index: resid 1K :2saltloc a and and name nsaltloc a and or name nsaltloc a or and name nsaltloc a or or name ns and name ns or name ntnotsnot notsaltloc a optionalsoptional optional altloc atstrings,Atom selection string leading to error: %stnames CA s 5sresname 5GP and name C6t selectiont pdb_atomssÂLINK S SO4 S 188 O1 SO4 S 188 LINK S SO4 S 188 O2 SO4 S 188 LINK NZ LYS A 680 1.260 C4A PLP D 1 LYS-PLP tpdb_strs%CRYST1 21.937 4.866 23.477 90.00 107.08 90.00 P 1 21 1 2 ATOM 2 CA GLY A 1 -9.052 4.207 4.651 1.00 16.57 C ATOM 6 CA ASN A 2 -6.522 2.038 2.831 1.00 14.10 C ATOM 14 CA Asn A 3 -3.193 1.904 4.589 1.00 11.74 C ATOM 22 CA GLN a 4 0.384 1.888 3.199 1.00 10.53 C ATOM 31 CA GLN a 5 3.270 2.361 5.640 1.00 11.39 C ATOM 40 CA ASN a 6 6.831 2.310 4.318 1.00 12.30 C END schain Aschain asname cas resname asns resname ASNs resname Asns%CRYST1 21.937 4.866 23.477 90.00 107.08 90.00 P 1 21 1 2 ATOM 2 CA GLY A 1 -9.052 4.207 4.651 1.00 16.57 C ATOM 6 CA ASN A 2 -6.522 2.038 2.831 1.00 14.10 C ATOM 14 CA ASN A 3 -3.193 1.904 4.589 1.00 11.74 C ATOM 22 CA GLN b 4 0.384 1.888 3.199 1.00 10.53 C ATOM 31 CA GLN b 5 3.270 2.361 5.640 1.00 11.39 C ATOM 40 CA ASN b 6 6.831 2.310 4.318 1.00 12.30 C END schain Bschain bsgATOM 5 CA SER 1 9.242 30.200 62.974 1.00 46.62 ATOM 11 CA ARG 2 12.548 28.316 63.532 1.00 30.20 ATOM 21 N NON 3J 13.947 29.997 64.680 1.00 22.94 ATOM 22 CA NON 3J 14.902 31.100 64.827 1.00 20.19 ATOM 24 O NON 3J 16.545 29.521 64.086 1.00 19.76 ATOM 28 N AILE 4 16.953 31.648 63.512 1.00 15.29 ATOM 29 CA AILE 4 18.243 31.372 62.859 1.00 14.32 ATOM 30 C AILE 4 19.233 32.112 63.743 1.00 13.54 ATOM 31 O AILE 4 19.105 33.315 64.009 1.00 11.84 ATOM 41 N PRO 5 13.947 29.997 64.680 1.00 22.94 ATOM 42 CA PRO 5 14.902 31.100 64.827 1.00 20.19 ATOM 44 O PRO 5 16.545 29.521 64.086 1.00 19.76 ATOM 45 CA CA 6 16.545 29.521 64.086 1.00 19.76 tpeptidetproteins…Sorry: "%s" atom selection keyword not available: Please try using "pepnames" instead. Atom selection string leading to error: %ss chain A or (peptyde and name ca)s‡RuntimeError: Atom selection syntax error at word "peptyde". Atom selection string leading to error: chain A or (peptyde and name ca)sQATOM 459 CA SER A 58 ATOM 463 OG ASER A 58 ATOM 464 OG BSER A 58 sCRYST1 21.937 4.866 23.477 90.00 107.08 90.00 P 1 21 1 2 ATOM 2 CA GLY A 666 -9.052 4.207 4.651 1.00 16.57 C ATOM 6 CA ASN A 777 -6.522 2.038 2.831 1.00 14.10 C ATOM 14 CA ASN A 1 -3.193 1.904 4.589 1.00 11.74 C ATOM 22 CA GLN A 2 0.384 1.888 3.199 1.00 10.53 C ATOM 31 CA GLN A 3 3.270 2.361 5.640 1.00 11.39 C ATOM 40 CA ASN A 4 6.831 2.310 4.318 1.00 12.30 C TER ATOM 6 CA ASN B 777 -6.522 2.038 2.831 1.00 14.10 C ATOM 14 CA ASN B 1 -3.193 1.904 4.589 1.00 11.74 C ATOM 22 CA GLN B 2 0.384 1.888 3.199 1.00 10.53 C END sresid 777 through 3 and chain Asresid 777 through 3sresid 777 through chain AsiCRYST1 21.937 4.866 23.477 90.00 107.08 90.00 P 1 21 1 2 ATOM 6 CA ASN B 777 -6.522 2.038 2.831 1.00 14.10 C ATOM 14 CA ASN B 1 -3.193 1.904 4.589 1.00 11.74 C ATOM 22 CA GLN B 2 0.384 1.888 3.199 1.00 10.53 C TER ATOM 2 CA GLY A 666 -9.052 4.207 4.651 1.00 16.57 C ATOM 6 CA ASN A 777 -6.522 2.038 2.831 1.00 14.10 C ATOM 14 CA ASN A 1 -3.193 1.904 4.589 1.00 11.74 C ATOM 22 CA GLN A 2 0.384 1.888 3.199 1.00 10.53 C ATOM 31 CA GLN A 3 3.270 2.361 5.640 1.00 11.39 C ATOM 40 CA AASN A 4 6.831 2.310 4.318 1.00 12.30 C ATOM 41 CA BASN A 4 6.831 2.310 4.318 1.00 12.30 C TER END sresid 2 through 4schain A and resid 2 through 4s$ATOM 5 CA SER 1 9.242 30.200 62.974 1.00 46.62 ATOM 11 O HOH 2 12.548 28.316 63.532 1.00 30.20 ATOM 21 O WAT C 3J 13.947 29.997 64.680 1.00 22.94 O ATOM 22 CA NON 3J 14.902 31.100 64.827 0.50 20.19 ATOM 42 CA PRO 5 14.902 31.100 64.827 1.00 20.19 ATOM 44 O PRO 5 16.545 29.521 64.086 1.00 19.76 HETATM 45 O ZHOH 6 16.545 29.521 64.086 0.00 19.76 HETATM 4 O KHOH 6 16.545 29.521 64.086 0.00 19.76 twaters bfactor < 20sname CA and bfactor = 20.19s occupancy > 0s occupancy < 1s occupancy = 0swithin(5, resname PRO)(%RtinputtNoneRt split_linestconstruct_hierarchytatom_selection_cacheRtn_seqt atoms_sizetAssertionErrort iselectiontsizetTruetFalsetlisttrangetatom_selectiontAtomSelectionErrortstrtfindRtendswitht get_labelstlentatomsRt reset_i_seqRtcountt&expand_selection_to_entire_atom_groupst splitlinestrecordstlinktziptlink_iselectionsR(tpdb_inpt hierarchyt sel_cachetiseltconjtexpectedtetstselR0ti_seqt sel_completeRt link_recordstexpected_resultst link_recordtsele((sJ/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/pdb/tst_atom_selection.pytexercise_selectionsÜd    !$!---$%%+/!----!$$$$6*--B=$1=-!0$$$-*-*-$*-3'$!=+4!!*!$$0&95'*     # + "   +%   ''$'''   '''''  9    !   '$   *'$0'$cC stƒdGHdS(NtOK(RH(((sJ/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/pdb/tst_atom_selection.pytrun±st__main__N( t __future__RtiotbxRtcctbx.array_familyRtlibtbx.test_utilsRRRHRJt__name__(((sJ/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/pdb/tst_atom_selection.pyts ÿ¬