dP8% L-̀\ `D$4 `x`PMM/dPq_[̀UdWVSU1ۍEPRmǃ~49}0DPVm_MQM QV7tE C9|؋E [^_]ÐUWVS}u ]j S _tj S_?auSFPVVe[^_]Entering a unix csh, if availableAll normal csh commands should be availableType "exit" to return to stericcshUjh<9jh^-jh!h_]Test Close Current MoleculeMolecule %s has group named %sMolecule %s doesn't have group %sMolecule %s doesn't have all required groupsUlWVSU }u 1h0uMQ"(EMuhj+$RS;_EPPSDž19MPiÃtRDPS)u2DPMQh VF_jVTuuDPMQh(V_jVNG9j9t)MQhJS_jSMQ&EE[^_]Enter number or label of molecule to make current:Kill AtomUhWVSu] u 10u,h S,_E@PS0tjEPSQ~YEPWZ_WVÃu7Wƒuh<jut RV=Åtމ[^_]Enter numbers or labels of atoms to kill:UpWVS] 10u-hS;_EPS0EPS_9DPWU_WEPÃu(Wƒuh<j7t ǃ#tREPHÁF9x[^_]Enter labels of atom types to kill:UlWVS] 10u)hUS_EPS0tsEPS#~\9}XDPW!_EP à t&CPW_u uF9[^_]Enter numbers or labels of groups to kill:Kill Groups NameU|WVS] Dž10u-hSS_EPS0EPS9DPW_Waà u8WEPƃuS.SSZS]]Enter new origin atom number or label (%d|%s):Change Origin AtomUWVS]Pƒu1}0u?PRhU5EP_E @PEP耬}0EPP{ƃu*EP]ƒuh5j萨bt tRPt)E P狳 ST Sԇe[^_]Change Origin GroupEnter new origin group number or label (%d|%s):UWVSDž11}u1Uuh6j+@EtDSPƃu"h6j3N1}0u9VSh6UR_E @PUR親}03URS_EPPS賏 EPURƃu0EPCuh6j-rt,t#ERt=REPmƃttxUEt,U R狰 P.R EPbl[^_]Enter new origin distance from bonded atom (%s: number %d) (%f):%lfULWVS]EE}89}u10uXuVXNTRQVdEPEPhP9S_u vVSW 0uVh9S_EE`T]uu]ȃE SL|$ ډE\$E$M u VUEPvP uV誃e[^_]ÐUSEU M]tT volrad = %f aliases = %s@UpWVSuDžDžu 1Tuhg;j+EPUR6h~;S_U BPSPh;S_Ph;EP_ ƅPPǃuh;j-1GHPDPh;S_U BPSCPh9S_$Ph9EPc_ ܝEuDžDž<ܕEuݝ ƅ~>9~DDPV_h;V _C9GPP_tvVW_uQSPPVh;URX_jUR蝟DH SGP_Tu[^_]Enter projection plane definition (0 to 10 doubles):%lf%lf%lf%lf%lf%lf%lf%lf%lf%lfval = %f in Change Molecule PlaneV=(%4.2f,%4.2f,%4.2f) X=(%4.2f,%4.2f,%4.2f)Theta=[%5.3f;%5.3f] Phi=[%5.3f;%5.3f]YY@UWVS}u1: DݰDݴKy0ۋ}u4h>uV_E @PV莢}$UuVEPuVEPuVEPuVEPuVRh>EP_1ۃ09@Dݰp?Etx?Eu'$h>uV_Vj9Cz؃ l'BAAAAhAHA(AA@EtݰTݴ48EtݰTݴ,0EtݰTݴ$(EtݰTݴ EtݰTݴEtݰTݴ ~EtݰTݴ^EtݰTݴ>EtݰTݴEtݰTݴC9-uD$3 t.]h?jjjjjSPhNQF_jQ舎B~jhNg0e[^_]%s%s = %f %sUSME ]Ut6E@t(R$QShOS覽_jS؋]%s %s = %f radians, %f degrees, %6.3f circle-DT!@U VS]E uthE@tZTP$$۽苰$ۭ$SVh$PSۼ_(jS ؍[^]%s %s = %f steradians, %f degrees, %6.3f sphere-DT!)@U VS]E uthE@tZ(Q$$۽{$ۭ$SVhPS _(jSP؍[^]Symmetry and centring operators for current moleculeCENTSYMM%4s %6.2f%6.2f%6.2f%8.3f %6.2f%6.2f%6.2f%8.3f %6.2f%6.2f%6.2f%8.3fU VS]t u1PhQV_jV_Pà \tQQRRXTPR@<PR84PR0,PRPLPR($PR PRPRHDPR PRPRPRPhRV_ljVLd[^]Atomic Data:No. type:Name radius ( x , y , z ) ( X , Y ) ( fx , fy , fz ) ( d , theta, phi ) SVangle==========================================================================View Molecule Atoms%2d:%d%c%c%c%3s:%-4s %5.3f (%6.3f,%6.3f,%6.3f) (%6.3f,%6.3f) (%6.3f,%6.3f,%6.3f) %5.3f %c UWVShSV{_jVÈjhS跈M tjhT蜈U tjh!T聈M @tjh9TfjhQTWjhZTKDžUPÃM9}hTj M u fDž U9uƅoMP9uff*u<>C PCPCPCPCPC PCpPClPSCPPffPPPQhTVٶ_DjVU t&CHSDPRC@S@x@|ư>ǀǀ@@8@<'@@@D@H-DT@L! @ǀffffǀff?ǀǀ?ǀAǀǀǀPǀP]ÐUWVSUM E}~"Y4:-t WPR衭 9|e[^_]0:Steric<>%d:Steric<%s>Output redirected to stdoutwtGet CommandOutput redirected to file %s UWVSEu }uhbP._ PPPhbP _GPPyÃuGP_G< `ux|#uc>=a `taP輟_Vh;P菩_0 u#a `jhcyFh cV_aua `h#cj";z Vh/cM_1!uPVB_1|&u1j S_tj Sר_SV_URSVUR象u1U[^_]ÐUVSEu ]t Pt V _SS&Ãue[^]ÐUWVSu }UMURVSURqURVSURt{e[^_]M%d.ctrUWVS] uSLǃUBt ttCPR耣_uSPh+jR_h/jR Q~t FP_h cRr_FU$(kkkkkkkkkkkkkkkkkkkkxkVSRNVSRr>VSR.URVSURqVSR± ~tFP_Fts[^_]contplotprofplot%s set polar .angset nopolar .radplot "%s" with lines, U|WVSu }EXVÃ1UBUtދU$lHmmmmmmmmmm8mxm(mHmmmhmWV艊WV uUPWVURwEWWVUR|AhlWVT0hlWVD tURh(lPҖ_ }+t} U:pu,h,lP苖_7lE;l*hPU R_zt C~t*WU R_EuEu }zG('0uU R E}he[^_]Tolman Cone Angle is %8.4f radiansCalculate Polar PositionsCalculate Polar Position-DT!@-DT! @UWVS}踄}t Uu1ijjjjuV臻VV{VSݖ $hS_jS]Zh|U S>؉E|󥋕|R|$|󥋕h$}Lh\E|EL󥋕|R2|$|$v}L؉,ELE|$|8uhjYELE|Sp|$؉󥋕|$}d|Dž,UPAu艵xU9}hقj X狅 S؉E|󥋕xRHF`PF\P4{tFdFh+狅xPE|狅x$zPuhقjWE|狅xP0E|狅xU$2z8uhقjwW狅xPEd狅xHEL狅x۽l0ۭlu>u$w `D$w `Nu#$w `ዕZd#$w `^d \[^_]Get PositionsDUOULWVSEEEEY@}u1/MtK]jjjjjjSw|$u 0t UR5EMP_ÃXUUMЉME̋M̋U9}hňj #Uu hjURus UR{ uC CCE@t؃$v `STCl޿ӈ1t FO)ȃPtTsӈt@UEu]UEu]؋EċUݚEݚuuU$BTPBPPtM$YPuuċA\PAXPtU$ZXe[^_]ÐUWVS]u$t u1t SNVu SG tDPƒtBuR u狃ǀuS(e[^_]Find Atomic RadiiUWVS}1t u1P蠘P蔘ÃtjF9}hj oRU PPCPPSlE@t ǃue[^_]ÐUWVSu }t Uu1VURUt'V狲 R=]jjjjjjSSt$|$U$e[^_]ORIGINATOM%-6s %-*s%-*s%10.6f%10.6f%10.6f BOND %4d%4d UWVS}] Pƃ9uDu9lPTPLPDPhP`_09thեj S1] Vu~V] SPw t[ 狵$P uE [^_]ATLoad Schakal MoleculeTITLLoading Schakal data %s ...CESYDUUWVS] h@UROuhCj"01SFtÃu1rSVhYURNu7hCj/SqyPh#S{^_$SPh'Vu^_Sh^V4^_jV|.VhzUR%N uhCj.:/jj VF^_PS, DžURhRGT_ URS_Rh}R]_ ~ƅRK@1t FO)ȃu6jj Rv]_PS J}u j"jjj R]_PS 9thCj -t؍[^_]Load Shelx MoleculeLoading shelx data %s ...UWVS} Wgqǃu1WShYURKu'h]j,WvVh#W[_WPh'S[_WhqSp[_jS+1URhSQ_ URQ_ Rh}S'[_ RIR H$x8Xzjj SZ_PWUjj SZ_PW5jjj SZ_PW*jSWƃ }މt[^_]**FRAG**Loading gstat coordinate data %s ...SYMMCELLUWVS] URhV3P_ URO_ujhPZ_ ujhPY_ SnÃu1S ƅ0Ѓx/ uƄ/O/ tVS:Y_Sh³VX_jV)1URhVAO_ URN_jhPY_ Rh}VrX_ ~RFjhRX_u-jj j VqX_PSWjhRX_ u&j j V,X_PS j VSWǃ tSS^URSjjURSv jS&؍[^_]Load Xtal MoleculeLoading xtal data %s ...SYMTRYLATICEUWVSh]SGuhwj'1U RlE u 1] SVhYUR{Fu4hwj'S>qPh#SHV_$] SPh'VBV_U RhRU_jS:&Dž]ShRSL_ PSK_?Sh}RU_ ~S D1t FO)ȃu2j j SU_PU R Wu)jj j SGU_PU Ru)j j S U_PU R j j ST_PU R 9thwj n%U U tE [^_]Load Acryst MoleculeLoading alchemy crystal data %s ...%dUWVSu URhSDJ_ tVhƃu1Vj0u/hj{$V)nSh#V7S_Vh}SS>PPPPPRh5V_Ur~WV WViWV URURWVÃURWV.WVqWVaURWV5à MWV 1WV!hjhjV=_uhjEv Ew:SS>URStjjURSV jS} t URS@h~UROURCPjG_؍e[^_]ÐUE@ǀǀǀǀ ǀ$ǀ(ǀ,ǀ0ǀ4ǀ8ǀ<ǀ@ǀDǀHǀL]steric.grprt/usr/local/steric%s/steric.grpGet Group Names [steric.grp] | [%s/steric.grp]GROUP UWVSuho8SE_hzSm<_(uHh}hSE_hzSE<_(u h}hShE_Sj,120tEPV=,8ΐ8PU RhE_hU RZE_U Dž01Dž4,948$8 (RlB_4DP$RD_ Rh(Rx4 (R:_0} H=j R{D_tj RfD_8P RE<Ã~y9}p8P$R2uM4P$R!D_F0$RU RC_hU RC_G9|;014,94(Rl9_URU Rw;[^_]Get_Groups_by_NameUWVS}t Mu119}u ]vPUP`u.P~0t;uPMP^;tGhj3UM 9|e[^_]ÐUWVS}EU PYƃt v Eu1UPXÃt[ Gu+E9Et9}us1EU PXƃtMUPXÃt+FPCPA0u G[ uՋv Eu9}t 1 e[^_]ÐUWVSu] }CPFP/uWSVt 1e[^_]%s UtWVS] }LE9EPZCPhW@_SWƃt?FPS@_0щH=whS@_uÍEPPg8ƒ1tEP'WƃtI9u119}'~DPW.tC9|9tu[^_]ÐUWVS} }U PUP.U RURLuU U9EEU P'Vƃt{U LuUPUÃtAURX9u WVSh tEu‹E1uU9Uu 1e[^_]ATOMATEXVOLR%lfBOND%d@UtWVS} ]E}tjhUR>_ t 1WQWSWC>_؋URhURT4_ UR4_uU:#ij R=_tj UR=_EPUR5E~hEP,hdEP+ut9]~FUROEPjDPUR=_jDPEP=_ C9]URThiEPr+uK9]~,w~hV<_DPV<_C9]فLhnEP+uk}~eDPhsEPH<_ ܟDEuLJDLJHܗDE ݟDhwEP*}EEEPh|EP;_EPPIWƻ9]EPh|DP};_EPPWjPVL C9]pܟDEuLJDLJHe[^_]Kill All GroupsKilled %d %s groupsUlWVSDžUuhj+(hzhoI1_uhj, 1WhRV* R0_uj W:_tj Wq:_EPWY2ƃ~9}DPU R(tC9|uDPU R*:_LR/_uhj- ~hj2 1UPLQƃt^U RV (u@GUP_PÃt'VNS9u ǃuۋTutU RWhS8_jS [^_]Name All GroupsRenaming group %s to %sUhWVSDžUuhj+$hzho /_ƃuhj,d 1ShV( V[._uj SL8_tj S=8_EPS%0~DPP-8_PSRV}tshj1V-_R[OƃUP9OÃtiVStQVShW!7_jWiVS7_ HDPR*uDHDHTuTqRNƃtjPf`V`\ƃ u[^_]Find Max Group SVanglesUWVSEEEEU}􋂜PXMÃtoGU9}h/j 0t>S|PR)u'C\C|UEu}]؋uEOUP}Mƃ>0P| Tdždž 1UPWLÃt~GU9}h/j 0tNE@9t u9S|PR(u"C\C|ܖEu ݞ}؋uE܆]TE7}(UP^Lƃ>0uEE܆]URUPPUEue[^_]ÐUWVSuU }tmu_uPJÃtWCPV [ u1e[^_]ÐUWVSMMUP]M}t{MQ}JÃtǃuU1PIƃt~tFtGËv u(MPe]U1c]MP,FtUPM0@ǀUJ| UMUPHƃMPEUPWh|MP1_WFPUPu'MPTWU Gv tMQe[^_]Found group %s of %d atomsUWVS}u P[PE} tEyyEnn< `uPh'_VEPW}nt}Nu14}yt}Yu]ǐe[^]ÐUVS]u < `u Sg'_VhS!_ t VS!_tDS>'_h< `hS~!_u?j S +_t j S+_1!j S+_t j S*_e[^]ÐUEU RP@].angPlotting molecule angular profile to file %s.radPlotting molecule radial profile to file %sPlotting molecule radial profiles to file %swtDraw Steric Profile#TITLE %s #STERIC %c %10.6f%10.6f%10.6f%10.6f%10.6f %s #PROFIL %10.6f%10.6f%6d %s %10.6f %10.6f .plt.TeXset polar set title "\LARGE %s profile of %s" , 4 set terminal latex courier 12 set output "%s" plot "%s" with lines exit sterplot %swgnuplotUWVSMl1} 0}HdE PS(_du0U:au(hHS}ShMP#(_KhzSOduShShP'_ jPhPt_ǃuhj"Džh"U RhWQ_MQU PMh PWƃVFXVTPRFPVLPRFHVDPRF@V1Eh1U P _PhU P _U P: _<[^_]UWVSuM 1ۉ0H8u9} CB8 tRS_SV_[^_]ÐUU<v<w ]Ð1]%dUW0ҋ}ҍzEPPX_Dž9},*< vƄ* 9|DžPhP_u 1 ]UM9tʐ<wB:uȉ]ÐUVSE] PV_SS}_VSSVZ_[^]%s (%f):%lfUWVSE]UM RQPhV_SVu0tE PhV_E [^_]%s (%d):UWVSE]U RPh>V@_SV 0tE PhV6_E [^_]ÐUWVSu0} ЍxM QaMQhVQ_ tB19}2*B9|Ƅ*SM QS_ uMQ_1[^_]ÐUWVS10} ЍXMQ]_} DžjjMQ_M QMQhP_ t@19}**B9|Ƅ*WGM QW_ uF말jQMQ_[^_]Ð-DT! @f@U<MD]f@-DT! @UpMx]ÐUEEt ]Ð]ÐUEEEu ؉]Ðى]ÐUEEEu؉]Ðى]ÐUEEEEuEuى]ÐEu؉]Ðى]ÐUEEEEuEuى]ÐEu؉]Ðى]Ð-DT!@U}$ `$e]Ð-DT!@v@U(}0ɉ]Ú?UEPE%]Ð:0yE>UE|E%]ÐY@UEE}Et1]Ð]ÐU EUEuRj#}mE@t؃$ `]Ðى]Ð-DT!?-DT!-DT! @Uuut+]È@s P]X]ÐEu$o `Eu`] ArcCos domain error x=%f -DT! @UEEu$h_]ÐEt$ `]Ð$h_] coserr 𿐐UEEEE@t#E@tD@u ]ÐUEu]hr_|UEu]hr_uu `]ÐUS]M 19} B9|]]ÐNew CommandUWVSu} MMMMfMfMMMh@_Ãuhj1ǃ8ǃ<fMf MKMQCP _MQC5P_ǃ0ǃ4t*40f}tH9t hjpt-88<8t 8<8؍e[^_] UWVS}1] PW3_F;thW_~؉e[^_] ,;UVSEu 1hP_t!Chjl_t~؍e[^]ÐU WVSu ]<tu<ui0u8Ct)0щJv2jCPV_ uCUB8u1e[^_]ÐU`WVSE1UPS_PSu1s]PW_SWEPtf8t4Ft9ŋU 9~PR[^_]data file input and outputfileload molecule data fileloadsave molecule data filesavesave molecule under different filenamesvasopen operating system command shellshellcurrent molecule datamoleculeview molecule data and parameters tablesviewgo to next molecule in memorynextgo to particular moleculegotogo to previous molecule in memorypreviouskill molecule atomskillparticular atomsatomsparticular atom typestypesparticular groups by typegroupsparticular groups by name/numbernumberrestore killed atomsretoreclose current moleculecloseclose entire moleculecrystal symmetry calculationssymmetryperform symmetry transformtransformexpand into unit cellexpandbox atomic databoxfind bonds in atomic databondfind bonded molecular groupsgroupexclude atoms outside group radiusexcludeexclude redundant atomsredundantcalculate group shell group shellold leach analytical solid angleoldcraig multiple overlap solid anglecraigvertex angle of overlapvertexOsolid angle of overlapsolidOcalculate crystal volumesvolumefree unit cell volumefreegroup volumecavity volumecavitycalculate projected areasareacalculate steric parameterscalculatecalculate steric parameter valuetotalcone angleconetolman cone angletolmancraig numerical solid anglenumericalprojected areaprojectmolecular volumecalculate steric parameter conformer averageconformercalculate steric parameter profileprofileangular cone angle profileangulararea versus thetathetaarea versus phiphiarea versus theta and phimapgraph steric profilesplotplot molecule orthogonal vieworthogonalplot molecule perspective viewplot cartesian steric parameter profilecartesianplot polar steric parameter profilepolarplot steric parameter valuesstericplot steric cone angle contourcontourplot steric 3D radial profile contourchange data and parameterschangechange molecule groupchange molecule projection planeplanegeneral calculation settingssettingschange multiple overlap orderorderchange profile rangesrangeperpective plot rangescontour plot rotationrotationchange profile array sizessizechange profile ranging modemodechange integration accuracyaccuracynumerical volume gridbond find settingsbondingcurrent molecule originoriginchange origin defining atomatomchange origin distance from main atomdistancechange origin defining atom to group main atomcontents of parameter tableparametersview molecule atomsview molecule groupsview molecule symmetryhelp on all commandshelpexit steric programexitUWVShhjfjjjljhhjljjSƃ0hhjsjVSohhCjajVSXƃ0hHhljejVS>hrhjmjSj(ǃ0hhjvjjW hhjnjVWƃ0hhjgjVWh h# jpjVWƃ0h, h@ jkjVWhE hV jajjV0h\ hr jtjPV{hx h jgjPVf0h h jnjPVNh h jrjPV90h h jcjVW!hE hV jajjV 0h\ hr jtjPVhx h jgjPV0h h jnjPVh hjmjPV0h h. jsjWjh7 hR jtjjW~ƃ0h\ hr jxjVWdhy h jbjVWMƃ0h h jdjVW3h h jgjVWƃ0h h jejVWh h jrjVWƃ0h hljsjVWh> h_ jojjV0hc h jgjPVh h jvjPV0h h jsjPVth h jvjVW_ƃ0h h jfjjVDh h jgjPV/0h h! jcjPVh( hB jajVW0hG hc jcjWjhm h jtjjWƃ0h h jcjjVh h jtjPV0h> h_ jojPVhc h jgjPVt0h h jnjPV\h h jvjPVG0h h jsjPV/h h jpjPV0h h jljPVh h8 jcjVWƃ0h h jcjjVh h jtjPV0h> h_ jojPVhc h jgjPV0h h jnjPVxh h jvjPVc0h h jsjPVKh h jpjPV60h h jljPVhB he jpjVW ƃ0hm h jajjVh h jcjPV0h h jtjPVh> h_ jojPV0hc h jgjPVh h jnjPV0h h jvjPVgh h jsjPVR0h hB jajVW:h h jtjjV"0h h jpjPV h h jmjPV0h h jvjVWh h jpjWjǃ0h hjojjWhhjmjVWƃ0h=hejcjVW{hm h jajjVc0h h jcjPVKh h jtjPV60h> h_ jojPVhc h jgjPV 0h h jnjPVh h jvjPV0h h jsjPVh h jpjPV0hohjpjVWhm h jajjV0h h jcjPVgh h jtjPVR0h> h_ jojPV:hc h jgjPV%0h h jnjPV h h jvjPV0h h jsjPVh h jpjPV0hhjsjVWh h jcjjV0h h jtjPVh> h_ jojPVn0hc h 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