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Z?!?!?!>"="="#@#@#>$?$*9%<%<&(9&<'9'6'9'9(0@(@)A)@)9@*:*4@+5+@+@+:+8,:,:,:,8,:,A,>-;-;->-;-;-;.=.8.!9/;/</;/9080>0!>0@1@1@1>1>2!92828383(93<3'94!>4847585(>5@67<EiI]e'$Scr |(AQY^hNcn~YN1o           }5*/=A6/g}1&*8[ip~(BRZ_ii_1w.}I?+9GYs}) 4 M1     \    C     4[O[j[[[[[ZZZZZZZZZZZZZZZZYYYYYYYYYYYYYYYYXX X X X X X X X X X X X X X X W W W W W W W W W WWWWWWWVVVVVVVVVVVVVVVVU!U"U$K@[AUAUAUAVAVAVAVAVAVAVAVBVBVBVBVBVBVBVBVBWBWBWCWCWCWCWCWCWCWCWDWDWDWDWDWDXDXDXDXEXEXEXEXEXEXEXEXFXFXFXFXFYFYFYFYFYGYGYGYGYGYGYGYGYGYHYHYHZHZHZHZHZHZIZIZIZIZIZIZIZIZIZJZJ[J[J[J[J[J[J[KKKU) m 8    Z   X      ?     !W  DZt]E+/:,     o    M   !J$"i$ $        ,        $$C[)%W} DZr 8=y&       5              G 9G      R               G      R               M      [                      !V      d                         !V      d                         !V      d                         !V      d                         !V      d                         !V      d                         *_      m                            ![ ) O} DZrA6/g}1'*8Sas@4455544:45:775:524697976779399:35 7 7!5!4!5!4#'7$.8%8%8%8&8&8&8'4(),8)L8*9*9*9*B8+9+w8,9,-8,8-4-8-9-9-9-9.6.9.4.5/8/!9/7/8/80934!W <Q\u+$$C(+  8 6    NC,,i,,,,,d, - , &, , , - , , + 0 0 0 0 0 0+ 1 ,,,+,,,+1$+X0+0=+f0000/0+/////+////+....+!.!?+".":+#.#2.$+%.%-%-&-&.'-'-'-'/'+(.(+(.(-(-(0)0)0)0+).)+*.*&+*-*-+-++,3\TTTTTTUTUUTUTUUUJUTT IIIII$IIIISIIHIMITQPIIR>"T>X?TBXCVCWDTEWEWEWE%TFXFVFTFWGWGXGTGSGTHHVHVHTLTLVL?SMTMTMRMTNSNTNVNSOSOTOTOTPTPXPTPTP#RQTQ}/8w`_      &}          0           T$tÍD$SD$$\$ @$C[WGHT LIST^UNIT^ACTAACTA can't find unitSearch and Replace:SortingSortingOption#eeeeee#dddddd#242424#aa0000#99aaff#0000aa=\s*$^REMREM start %d end %d 1insertCompletion(QString)2activated(QString)^[a-z]+_»HKLF\s+^[0-9]+#fafaf0bluevioletlightskybluedarkgoldenrodorangelightsalmonlightseagreenaquamarineolivebisque^%1\b=++Open inluded file '%1'1openAnIncludeFile()locate %1 in structure1searchInStructure()1selectInStructure()1sortSelectedRegion()1toggleRemarks()CodeEditor will close%d CodeEditor closed. %d %p REM>%1\s+>\s+%2^[0-9]+$^[A-Z]^[a-z]$%1 = <%1\s+<\s+%2#ffddaaBEDE atom1 atom2 r A U1 U2TANG torsion angle restraintsRANG angle restraintsFLAPCHAN chain id for pdb RESTMOLE n Has been deprecated!PLAN npeaks[20] d1[#] d2[#]FMAP code[2] axis[#] nl[53]SIZE dx dy dzACTA 2thetafull[#]RTAB codename atomnamesMPLA na atomnamesBOND atomnamesFVAR osf[1] free variablesSTIR sres step[0.01]DAMP damp[0.7] limse[15]BLOC n1 n2 atomnamesCGLS nls[0] nrf[0] nextra[0]L.S. nls[0] nrf[0] nextra[0]SUMP c sigma c1 m1 c2 m2 ...ISOR s[0.1] st[0.2] atomnamesCHIV V[0] s[0.1] atomnamesSADI s[0.02] pairs of atomsBUMP s [0.02]DANG d s[0.04] pairs of atomsDFIX d s[0.02] pairs of atomsFREE atom1 atom2BIND atom1 atom2EQIV $n symmetry operationEADP atomnamesEXYZ atomnamesHFIX mn U[#] d[#] atomnamesAFIX mn d[#] sof[11] U[10.08]ANIS n ANIS namesRESI class[ ] number[0] aliasSPEC del[0.2]MERG n[2]SWAT g[0] U[2]EXTI x[0]BASF scale factorsEND end of inputHOPE Has been deprecated!LAUE E (values of f' and f")DISP E f' f'' [#] mu [#]SYMM symmetry operationOMIT\s+\d+\s+\d+\s+\d+OMIT %1 %2 %3 UNIT^AFIX\s+0^AFIX\s+\d+^HKLF^PART\s+0^PART\s+[-0-9]{1,}lineNumberAreaafixHighlightArea2blockCountChanged(int)2updateRequest(QRect,int)1updateAfix()2textChanged()Search and Replace:/icons/cancel.png:/icons/moveleft.pngPrevious:/icons/moveright.pngNextSelect whole linesReplace:/icons/all.pngReplace All!1findText()2textChanged(const QString&)1findNext()2clicked()1findPrev()2returnPressed()1replaceNext()1replacePrev()1replaceAll()1hideSearch()1findResi(QString)1resiFinderDestroyed()2destroyed(QObject*)_%1ANIS = EADP%1 EXYZ%1 FLAT%1 %2 CHIV%1 %2 %3 ISOR%1 %2 %3 DANG%1 %2 %3 RIGU%1 %2 %3 DELU%1 %2 %3 DFIX%1 %2 %3 SIMU%1 %2 %3 %4 \D\d+:kisselwaveREM DISP ^DISP #S %1 %2 %1= ^SFAC[.0-9]+ %1 DISPSFAC %1 [<>]%s %g ^part.*$^resi.*$RESIAFIX 0 Sorting atoms in Editorhab was nicht %d %s RESI %1 %2 PART %1 PART 0 RESI 0 PARTnot enough atoms selected!afixAFIX\s+0[-]*\d{2,}\.\d+!LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! ANIS ! automatically inserted Search and Replace: Replaced %1 occurrencies of '%2' by '%3'.FREE %1 %2 !experimental does not work with EQIV AND PART BIND %1 %2 !experimental does not work with EQIV AND PART select atoms in structure found in selected textsort atoms found in selected texttoggle remarks states of selected textLONE atomnames m A U1 U2 r phi phi required for m = 2, 3, 7, 9, and 12TWST N[0] specify twin component used for completeness and Friedel statisticsNOTR p[170] d[1.9] removes torsion angles generated by CONF from the .cif fileANSR [0.001] restraint for ANSC ANSC six coefficients anisotropic scalingABIN n1 n2; Reads name.fab with precalculated structure factors.NEUT convert x-ray SFAC table to neutronsSTAG torsion angle restraint for staggeredADDA O2T_999 etc. add atoms to residue so that H-restrains are obeyed.WIGL del[0.5] Displaces all atoms by distance delPRIG p[#] Sets the parameter p for RIGUSOCC X[11.0] reset occupancy to X for the following atomsRNUM N offset n to add to all following resi numbersRIGU s1[0.004] s2[0.004] atomnames rigid body restraintXNPD Umin[­0.001] restrain against non-positive-definite atomsGRID sl[#] sa[#] sd[#] dl[#] da[#] dd[#]WPDB n[1] Writes coordinates to a .pdb file.TEMP T[20] Temperature T of the data collection in degrees Celsius.LIST m[#] mult[1] Write reflection lists to the .fcf file.HTAB dh[2.0] HTAB donor-atom acceptor-atomCONF atomnames max_d[1.9] max_a[170]WGHT a[0.1] b[0] c[0] d[0] e[0] f[.33333]NCSY DN sd[0.1] su[0.05] atomsSIMU s[0.04] st[0.08] dmax[2.0] atomnamesDEFS sd[0.02] sf[0.1] su[0.01] ss[0.04] maxsof[1]DELU s1[0.01] s2[0.01] atomnamesFLAT s[0.1] four or more atomsSAME s1[0.02] s2[0.04] atomnamesCONN bmax[12] r[#] atomnames or CONN bmax[12]FEND This must immediately follow the last atom of a FRAG fragment.FRAG code[17] a[1] b[1] c[1] alpha[90] beta[90] gamma[90]MOVE dx[0] dy[0] dz[0] sign[1]TWIN 3x3 matrix [-1 0 0 0 -1 0 0 0 -1] n[2]SHEL lowres[infinite] highres[0]OMIT s[-2] 2Theta(lim)[180] or OMIT h k l OMIT atomnames e.g. $HHKLF N[0] S[1] r11...r33[1 0 0 0 1 0 0 0 1] sm[1] m[0]TIME t[s] Has been deprecated!MORE m[1] ;Sets the verbosity m=0..3 Negative m writes a covariance .mat file.REM the rest of the line is a commentUNIT n1 n2 ... Number of atoms of each type in the unit-cellSFAC elements or SFAC label a1 b1 a2 b2 a3 b3 a4 b4 c f' f'' mu r wtLATT N N= 1=>P, 2=>I, 3=>R, 4=>F, 5=>A, 6=>B, 7=>C. Negative N=> non-centrosymmetricZERR Z esd(a) esd(b) esd(c) esd(alpha) esd(beta) esd(gamma)CELL wavelength[A] a[A] b[A] c[A] alpha[°] beta[°] gamma[°]TITL [ ] Title of up to 76 characters1updateLineNumberAreaWidth(int)1updateLineNumberArea(QRect,int)1highlightSearch(const QString &)DISP $%1 %2 %3 %4!source kissel Error in line %2!
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