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Bye.nresiduesnatoms%s [-mat] [-rot] [-mean] [-sd] [-cmp pdbfile] [-pr atom_sel] [-fit atom_expr] [-calc atom_expr] pdbfiles -fit-calc-pr-mat-rot-mean-sd-cmpMolecule %d = %s --> %s Molecule %d = %s Cannot get pdb file %s. Bye. ERROR: At least 2 pdb structures are required. Bye.ERROR: No atoms defined by the fit atom expression ERROR: No atoms defined by the calc atom expression mean.pdb -mean : Mean structure will be output to "%s" All atom fit. -fit : Fitting on the atom expression "%s" : %d atoms. All atom RMSDs. -calc : Calculating on the atom expression "%s" : %d atoms. ERROR: superimpose() failed. Check your atom expressions.ERROR: rmsd() failed. Check your atom expressions.tatomnum Pairwise difference matrix by molecule number : --------- %2d |%6.2f---- %6d Difference from mean by molecule number : %4d RMS pairwise difference between structures = %5.3f Standard Deviation = %5.3f RMS difference from mean structure = %5.3f Standard Deviation = %5.3f ERROR: -cmp: Cannot get pdb file %s Difference from %s by molecule number : Rotated %s will be output to file %s RMS difference from %s = %5.3f per-residue RMS differences: tresnum%4s %5d %8.3f can't allocate new a_pos array can't allocate new a_mask array superimpose: atom mismatch: mol(%d) & r_mol(%d) can't allocate new ra_pos array rms: no atoms selected in mol 1 rms: no atoms selected in mol 2 rms: atom mismatch m1(%d) & m2(%d) rms: can't allocate new a1pos array rms: can't allocate new a2pos array setpoint: %s: no atoms selected ?Y@?%13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6le %13.6leMAT_fscan: too many matrices. %lf %lf %lf %lfMAT_fscan: incomplete matrix. MAT_sscan: too many matrices. MAT_sscan: incomplete matrix. MAT_count: last marix is incomplete. MAT_getsyminfo: can't allocate space for symmetry information. FATAL: %s allocation failure in vector()allocation failure in ivector()allocation failure 1 in matrix()allocation failure 2 in matrix()new moleculeUnable to allocate space for %s. new strand %sname for new strand %sStrand %s not in molecule. residue array in strand %s #%2d not in strand %sResidue %s. %s not in residue %sAtom %s. #%2d not in strand %s bond between %s %d:%s and %s %d:%slastfirst%s/%send1/end2 in ligate() must be be 5'/3' or 3'/5 not %s merged residue arrayanglep: p1, p2 are coincident, returning 0.0 anglep: p2, p3 are coincident, returning 0.0 cܥL@dnarnaaasetreskind: ERROR: unknown rkind %s nstrandsnresiduesnatomsNAB_mri: unknown key: %s resnumtresnumstrandnumNAB_rri: unknown key: %s resnameresidstrandnameNAB_rrc: unknown key: %s atomnumtatomnumint1NAB_ari: unknown key: %s xyzchargeradiusfloat1float2NAB_arf: unknown key: %s atomnamefullname%d:%d:%sNAB_arc: unknown key: %s 9RFߑ?9RFߑ?-DT! @f@v@copied external bondsPO5'O5*O1POAPO2POBPHBQ?HEO3'O3*C3'C3*Q?Can't create new atom array Can't create new atom index array add_atom: can't allocate anp. NABHOMENABHOME not defined getreslibkind: unknown reslib %s UNDEFdnarnaaaDNARNAAAADEDAGUADGTHYDTCYTDCRARGURARURC35%s not in library %sResidue %s. new PARMSTRUCT_T %sUnable to allocate space for %s. copyparm AtomNames %scopyparm ResNames %scopyparm AtomSym %scopyparm AtomTree %snew residue %satoms in new residue %satom index in new residue %sbonds in new residue %schirality in residue %scopyresidue: can't allocate new r_resname. copyresidue: can't allocate new r_resid. copyresidue: can't allocate anp. new strand %scopystrand pointer arraystrandname %scopymoleculeinitatoms: can't allocate a_atomname. .libleap/%srCan't open residue library %s. new reslib %sname for new reslib %s%s %s typeatomtypeunitedalloffpdbpdb file %sCan't open file %s. bndbnd file %sqrqr file %schichi file %s%-*.*sIncorrect line in residue library header %s... ./../%s/reslib/%s!indexentry.%s.unit.nameunit.atomsunit.positionsunit.connectivityREMARKATOMHETATM%s %d %s %s %d %lf %lf %lf# %sIncorrect header line in bond file: %s... %d %dIncorrect data line in bond file: %s... chi2reslib: bad line in chirality file: %s chi2reslib: res %s not in %s %s %s %s %schi2reslib: atom "%s" not in residue "%s" REM%s %d %s %s %d %lf %lfREMARK RESLIB %s %sUNITEDALLATOMresidue %s in reslib %satoms in residue %s in reslib %saddres2reslib: can't allocate new r_resname. addres2reslib: can't allocate new r_resid. addres2reslib: can't allocate anp. bonds of residue %s%s not in reslib %s addchi2reslib: can't alloc r_chiral for %s addchi2reslib: res %s not reslib %s select_atoms: atom-expr too complicated atom_in_aexpr: atom-expr too complicated :,atom range not allowed *substr: pos (%d) not in string substr: can't allocate substring NAB_strcat: can't allocate new string NAB_strcpy: can't allocate new string NAB_readstring: can't allocate new string An error occured in line: %d Message: %s ! singlearraytableintdblstr%s !%s %s %sUnknown modifierUnknown entry typeTried to parse:%s: as a headerWARNING: Nonunique entry in database: %s found %d%lG %d 0.0 %lf %lE@@-C6? %cUnknown value type: %d t9423848wCould not open scratch filer+rw+Illegal database open mode The DATABASE has the wrong access mode.DATABASE is read-only!Illegal read of sequential file after a writeWhen PUTing into a DATABASE there must be a MODIFIER!When PUTing into a DATABASE there must be a TYPE!Illegal table type!,T|0Too many prefixes on stackToo many POPs from prefix stackgUUU?Range endpoint too large. Bad number. ``\ digit'' out of range. Illegal or missing delimiter. No remembered search string. \( \) imbalance. Too many \(. More than 2 numbers given in \{ \}. First number exceeds second in \{ \}. [ ] imbalance. Regular expression too long. Unknown error %d  (@XpP<(x8|L-getpdb: can't open file %s getcif: can't open file %s wCan't open file %s. putcif: NULL molecule putbnd: NULL molecule aoff array in putbnd%d %d putdist: NULL molecule can't open dist file %s ATOMHETATMC5MC7O2'H2'1H2'ADECCYTGGUATHYURA%d-pqr%lf%lfNOTERENDfputpdb: NULL molecule fputpdb: NULL file pointer -brook-tr-nocid%10.5f%10.5f -nobocc%6.2f%6.2f %.1s TER HIDHISHIPCYXCYSASHASPGLHGLU H HBHIPHETYRTRPfputcifmolio.cmolfpdata_%s _entry.id %s getxv: can't open file %s %d %lf%5d%15.5f %12.7f%12.7f%12.7f Unable to allocate space for %s. %3d %-4s %-4s %3d %-4s %4s %8.3f getcif routine not implemnted in this version! ...compile cifparse.a, and NAB with -DMMCIF initres: can't allocated res.r_resname. initres: can't allocated res.r_resid. initatoms: can't alloc a_atomname. ATOM %5d %-4s %-3s %c%4d %8.3f%8.3f%8.3fATOM %05d %-4s %-3s %c%4d %8.3f%8.3f%8.3fATOM %5d %-4s %3s %-6s %8.3f%8.3f%8.3fATOM %05d %-4s %3s %-6s %8.3f%8.3f%8.3f########### ## ENTRY ## ########### ############### ## ATOM_SITE ## ############### loop_ _atom_site.id _atom_site.label_atom_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.auth_seq_id _atom_site.cartn_x _atom_site.cartn_y _atom_site.cartn_z _atom_site.label_entity_id _atom_site.label_seq_id %5d %-4s %3s %c %4d %8.3f %8.3f %8.3f %3d %4d %12.7f%12.7f%12.7f%12.7f%12.7f%12.7f 333333??A??? @pBVfvƋ֋&6FVfvƌ֌&6FVfvƍ֍&6FA ( P(  A(o oodtdt9<Hr0,V1V cV$[Lby !"#3%K&a1x234568 9";B=X>n?@ABCDE F$G;HTIiNQRST9UUVmX[^ehl q r5 uP vm y z } & @ ˔t F  #V Y 4u < C F S Z ^ltMyn4 Lb8wbKL#5LwH8KgLUZ^?awb\r5 7!899S:m dtinit.c/usr/src/build/45423-i386/BUILD/glibc-2.2.4/csu/gcc2_compiled.int:t(0,1)=r(0,1);-2147483648;2147483647;char:t(0,2)=r(0,2);0;127;long int:t(0,3)=r(0,3);-2147483648;2147483647;unsigned int:t(0,4)=r(0,4);0000000000000;0037777777777;long unsigned int:t(0,5)=r(0,5);0000000000000;0037777777777;long long int:t(0,6)=@s64;r(0,6);01000000000000000000000;0777777777777777777777;long long unsigned int:t(0,7)=@s64;r(0,7);0000000000000;01777777777777777777777;short int:t(0,8)=@s16;r(0,8);-32768;32767;short unsigned int:t(0,9)=@s16;r(0,9);0;65535;signed char:t(0,10)=@s8;r(0,10);-128;127;unsigned char:t(0,11)=@s8;r(0,11);0;255;float:t(0,12)=r(0,1);4;0;double:t(0,13)=r(0,1);8;0;long double:t(0,14)=r(0,1);12;0;complex int:t(0,15)=s8real:(0,1),0,32;imag:(0,1),32,32;;complex float:t(0,16)=r(0,16);8;0;complex double:t(0,17)=r(0,17);16;0;complex long double:t(0,18)=r(0,18);24;0;__builtin_va_list:t(0,19)=*(0,20)=(0,20)../include/libc-symbols.h/usr/src/build/45423-i386/BUILD/glibc-2.2.4/build-i386-linux/config.h../sysdeps/gnu/_G_config.h../sysdeps/unix/sysv/linux/bits/types.h../include/features.h../include/sys/cdefs.h../misc/sys/cdefs.h/usr/lib/gcc-lib/i386-redhat-linux/2.96/include/stddef.hsize_t:t(8,1)=(0,4)__u_char:t(4,1)=(0,11)__u_short:t(4,2)=(0,9)__u_int:t(4,3)=(0,4)__u_long:t(4,4)=(0,5)__u_quad_t:t(4,5)=(0,7)__quad_t:t(4,6)=(0,6)__int8_t:t(4,7)=(0,10)__uint8_t:t(4,8)=(0,11)__int16_t:t(4,9)=(0,8)__uint16_t:t(4,10)=(0,9)__int32_t:t(4,11)=(0,1)__uint32_t:t(4,12)=(0,4)__int64_t:t(4,13)=(0,6)__uint64_t:t(4,14)=(0,7)__qaddr_t:t(4,15)=(4,16)=*(4,6)__dev_t:t(4,17)=(4,5)__uid_t:t(4,18)=(4,3)__gid_t:t(4,19)=(4,3)__ino_t:t(4,20)=(4,4)__mode_t:t(4,21)=(4,3)__nlink_t:t(4,22)=(4,3)__off_t:t(4,23)=(0,3)__loff_t:t(4,24)=(4,6)__pid_t:t(4,25)=(0,1)__ssize_t:t(4,26)=(0,1)__rlim_t:t(4,27)=(4,4)__rlim64_t:t(4,28)=(4,5)__id_t:t(4,29)=(4,3)__fsid_t:t(4,30)=(4,31)=s8__val:(4,32)=ar(4,33)=r(4,33);0000000000000;0037777777777;;0;1;(0,1),0,64;;__daddr_t:t(4,34)=(0,1)__caddr_t:t(4,35)=(4,36)=*(0,2)__time_t:t(4,37)=(0,3)__useconds_t:t(4,38)=(0,4)__suseconds_t:t(4,39)=(0,3)__swblk_t:t(4,40)=(0,3)__clock_t:t(4,41)=(0,3)__clockid_t:t(4,42)=(0,1)__timer_t:t(4,43)=(0,1)__key_t:t(4,44)=(0,1)__ipc_pid_t:t(4,45)=(0,9)__blksize_t:t(4,46)=(0,3)__blkcnt_t:t(4,47)=(0,3)__blkcnt64_t:t(4,48)=(4,6)__fsblkcnt_t:t(4,49)=(4,4)__fsblkcnt64_t:t(4,50)=(4,5)__fsfilcnt_t:t(4,51)=(4,4)__fsfilcnt64_t:t(4,52)=(4,5)__ino64_t:t(4,53)=(4,5)__off64_t:t(4,54)=(4,24)__t_scalar_t:t(4,55)=(0,3)__t_uscalar_t:t(4,56)=(0,5)__intptr_t:t(4,57)=(0,1)__socklen_t:t(4,58)=(0,4)../linuxthreads/sysdeps/pthread/bits/pthreadtypes.h../sysdeps/unix/sysv/linux/bits/sched.h__sched_param:T(10,1)=s4__sched_priority:(0,1),0,32;;_pthread_fastlock:T(9,1)=s8__status:(0,3),0,32;__spinlock:(0,1),32,32;;_pthread_descr:t(9,2)=(9,3)=*(9,4)=xs_pthread_descr_struct:__pthread_attr_s:T(9,5)=s36__detachstate:(0,1),0,32;__schedpolicy:(0,1),32,32;__schedparam:(10,1),64,32;__inheritsched:(0,1),96,32;__scope:(0,1),128,32;__guardsize:(8,1),160,32;__stackaddr_set:(0,1),192,32;__stackaddr:(0,19),224,32;__stacksize:(8,1),256,32;;pthread_attr_t:t(9,6)=(9,5)pthread_cond_t:t(9,7)=(9,8)=s12__c_lock:(9,1),0,64;__c_waiting:(9,2),64,32;;pthread_condattr_t:t(9,9)=(9,10)=s4__dummy:(0,1),0,32;;pthread_key_t:t(9,11)=(0,4)pthread_mutex_t:t(9,12)=(9,13)=s24__m_reserved:(0,1),0,32;__m_count:(0,1),32,32;__m_owner:(9,2),64,32;__m_kind:(0,1),96,32;__m_lock:(9,1),128,64;;pthread_mutexattr_t:t(9,14)=(9,15)=s4__mutexkind:(0,1),0,32;;pthread_once_t:t(9,16)=(0,1)_pthread_rwlock_t:T(9,17)=s32__rw_lock:(9,1),0,64;__rw_readers:(0,1),64,32;__rw_writer:(9,2),96,32;__rw_read_waiting:(9,2),128,32;__rw_write_waiting:(9,2),160,32;__rw_kind:(0,1),192,32;__rw_pshared:(0,1),224,32;;pthread_rwlock_t:t(9,18)=(9,17)pthread_rwlockattr_t:t(9,19)=(9,20)=s8__lockkind:(0,1),0,32;__pshared:(0,1),32,32;;pthread_spinlock_t:t(9,21)=(0,1)pthread_barrier_t:t(9,22)=(9,23)=s20__ba_lock:(9,1),0,64;__ba_required:(0,1),64,32;__ba_present:(0,1),96,32;__ba_waiting:(9,2),128,32;;pthread_barrierattr_t:t(9,24)=(9,25)=s4__pshared:(0,1),0,32;;pthread_t:t(9,26)=(0,5)wchar_t:t(11,1)=(0,3)wint_t:t(11,2)=(0,4)../include/wchar.h../wcsmbs/wchar.h../sysdeps/unix/sysv/linux/i386/bits/wchar.h__mbstate_t:t(13,1)=(13,2)=s8__count:(0,1),0,32;__value:(13,3)=u4__wch:(11,2),0,32;__wchb:(13,4)=ar(4,33);0;3;(0,2),0,32;;,32,32;;_G_fpos_t:t(3,1)=(3,2)=s12__pos:(4,23),0,32;__state:(13,1),32,64;;_G_fpos64_t:t(3,3)=(3,4)=s16__pos:(4,54),0,64;__state:(13,1),64,64;;../include/gconv.h../iconv/gconv.h :T(17,1)=e__GCONV_OK:0,__GCONV_NOCONV:1,__GCONV_NODB:2,__GCONV_NOMEM:3,__GCONV_EMPTY_INPUT:4,__GCONV_FULL_OUTPUT:5,__GCONV_ILLEGAL_INPUT:6,__GCONV_INCOMPLETE_INPUT:7,__GCONV_ILLEGAL_DESCRIPTOR:8,__GCONV_INTERNAL_ERROR:9,; :T(17,2)=e__GCONV_IS_LAST:1,__GCONV_IGNORE_ERRORS:2,;__gconv_fct:t(17,3)=(17,4)=*(17,5)=f(0,1)__gconv_init_fct:t(17,6)=(17,7)=*(17,8)=f(0,1)__gconv_end_fct:t(17,9)=(17,10)=*(17,11)=f(0,20)__gconv_trans_fct:t(17,12)=(17,13)=*(17,14)=f(0,1)__gconv_trans_context_fct:t(17,15)=(17,16)=*(17,17)=f(0,1)__gconv_trans_query_fct:t(17,18)=(17,19)=*(17,20)=f(0,1)__gconv_trans_init_fct:t(17,21)=(17,22)=*(17,23)=f(0,1)__gconv_trans_end_fct:t(17,24)=(17,25)=*(17,26)=f(0,20)__gconv_trans_data:T(17,27)=s20__trans_fct:(17,12),0,32;__trans_context_fct:(17,15),32,32;__trans_end_fct:(17,24),64,32;__data:(0,19),96,32;__next:(17,28)=*(17,27),128,32;;__gconv_step:T(17,29)=s56__shlib_handle:(17,30)=*(17,31)=xs__gconv_loaded_object:,0,32;__modname:(17,32)=*(0,2),32,32;__counter:(0,1),64,32;__from_name:(4,36),96,32;__to_name:(4,36),128,32;__fct:(17,3),160,32;__init_fct:(17,6),192,32;__end_fct:(17,9),224,32;__min_needed_from:(0,1),256,32;__max_needed_from:(0,1),288,32;__min_needed_to:(0,1),320,32;__max_needed_to:(0,1),352,32;__stateful:(0,1),384,32;__data:(0,19),416,32;;__gconv_step_data:T(17,33)=s36__outbuf:(17,34)=*(0,11),0,32;__outbufend:(17,34),32,32;__flags:(0,1),64,32;__invocation_counter:(0,1),96,32;__internal_use:(0,1),128,32;__statep:(17,35)=*(13,1),160,32;__state:(13,1),192,64;__trans:(17,28),256,32;;__gconv_info:T(17,36)=s8__nsteps:(8,1),0,32;__steps:(17,37)=*(17,29),32,32;__data:(17,38)=ar(4,33);0;-1;(17,33),64,0;;__gconv_t:t(17,39)=(17,40)=*(17,36)_G_iconv_t:t(3,5)=(3,6)=u44__cd:(17,36),0,64;__combined:(3,7)=s44__cd:(17,36),0,64;__data:(17,33),64,288;;,0,352;;_G_int16_t:t(3,8)=(0,8)_G_int32_t:t(3,9)=(0,1)_G_uint16_t:t(3,10)=(0,9)_G_uint32_t:t(3,11)=(0,4)_IO_stdin_used:G(0,1)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)GCC: (GNU) 2.96 20000731 (Red Hat Linux 7.1 2.96-98)01.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.0101.01.symtab.strtab.shstrtab.interp.note.ABI-tag.hash.dynsym.dynstr.gnu.version.gnu.version_r.rel.dyn.rel.plt.init.plt.text.fini.rodata.data.eh_frame.ctors.dtors.got.dynamic.sbss.bss.stab.stabstr.comment.note# 1((7 ?GozTo  `c  (l   u(( {@@ PPzPP' ? AAAApBp@C@@C@e> @ gi|0 (  ( @ P P ?AAAApB@C@C t t +2  =?AAO?[ qA PC @ ?A2   A@ AAA P  P P C@ &C3h 7h <h @h Dh Gh Oh U( i  }X=A p=A =A H=A h h h h h Q ph p` pth |h h h h h  @=A `=A P=A  h "@ 5 )@( 5 0@5 5 7ph >`@ .J=A T=A _xh e@o .p0 h=A x=A h   ?`>A >A >A >A ?A h u =A )  >A g ` 09 "0 +l 4X ;@ E\ JhH Q W ^A e @i$@m(@q  z D ?A 'fA  ?A     %  5 / 0 $n fA ZC Hy 2 fA @@   <  `]C ",H6 .dH 9@[C AD[C JH[C SP[C W`[C \@En eE pFi yF@ [C `\C \C 4=  I K Nc 0D DL# O ]tj ml { ܯ _  @W H M @D D @D  Ա @D  ` ' < 2 @,4 L`) ` nd! | ; LK x tH H  <   d   1 J  T P ]Pk cAjD r@D ${D $L D D @ `3 x  > D # t{ P& )"  `# ̸7 2  = W M . Z pEw > (  ;f Po TT c   pB h<X    "2 T = : H E T Ћ&f &y < (  @1  H? - 0R   -T    ĨD   ( :: ȨD @ + H 8[ U  \ t e ̨D j 0 D  ] ШD  % A ) ' x ! B \3  F " @&3 p B  M 4 _  u P4 L  $W ( lE x  `p |z  p- |6 \q  "9 ԨD > @ G $z S f d q @C DC p  @ "N Xs X  dD H@} Lm | P 8S +@<بD AЌIR "ܬ - D9* $ );Kd V-h@CoAܨD P 4 7 C Ě Ѝ}HC0/ LC([   +P\ 4p96 <đ L_|7j lD w2 _ $K  ԷY -? &0(# 0P 7L B  M<t X  `pQ m! xԱ =  * <A  @h2 initfini.cgcc2_compiled.call_gmon_startinit.ccrtstuff.cp.0__DTOR_LIST__completed.1__do_global_dtors_aux__EH_FRAME_BEGIN__fini_dummyobject.2frame_dummyinit_dummyforce_to_data__CTOR_LIST____do_global_ctors_aux__CTOR_END____DTOR_END____FRAME_END__suppose.cprexprrms_per_res__st0001__.0cmpmeanrotmatprn_pairsn_molrms_mean_differencerms_pair_differencedev_sumcmp_summean_sumpair_sumacfitexprcalcexprsdcmpfnamempdbfnamerotpdbfnamem_temprn_fitatomsn_calcatomsijpairwise_fitpair_meandevpair_sigmaamean_xmean_ymean_zm_meanfit_to_meanmean_meanmean_sigmam_cmpfit_to_cmprms_cmp_differencecmp_meancmp_sigmarotcmpfnameframeutil.cgl_frameorgxtailxheadytailyheadmakeframecopyptsmat.0overlaymat.1count_atomscount_sel_atomsget_sel_aposget_aposput_aposcrosspnormalizedotpcenmastranslsqrotrotatea.2v.3d.4jacobi.cmatop.cgsbufgsbm.0memutil.cmolio.cfgetpdbfgetcifdistinitresinitatomsnatomsresmakebondsisnewresatomsinit.0mk_brook_rnamemk_brook_anamemolutil.ce_msgfixextbondsfreestrandrname.0rv_err.1rv_err.2f.3mp.4mk_idmatconcat_matcopy_matxfm_xyzmr.5mat.6mat5.7raa2matcvt_p2hbadd_he2o3find_atomdelete_atomadd_atomreslib.cnabhomereslibsknown_reslibread_reslibread_reslib_headeroff2reslibpdb2reslibbnd2reslibqr2reslibchi2reslibmk_fnamen_atomslr_nameaddres2reslibn_bondsbondsaddbonds2reslibsetrlibattrsn_chiaddchi2reslibfindatomchiaddqr2reslibselect_atoms.cselect_allclear_workclear_selectaexpreval_1_aexpror_selectset_selectatom_in_1_aexprspartrpartapartis_patternmatch_str_patmatch_str_rangematch_res_patmatch_res_rangematch_atom_patatom_in_str_patatom_in_str_rangeatom_in_res_patatom_in_res_rangeatom_in_atom_patrexpraexpr2rexprexpbufstringutil.cbuf.0traceback.cdatabase.csDataBaseNameReportErrorConstructDataHeaderAddColumnTypeWriteDataLinezbDBReadLinezbDBReadDataLineeEntryCreatebScanDataBaseStripIntegerStripDoublesStripStringConcatIntegerConcatDoubleConcatStringzbDBGetValuezPutValueTransferEntryToNewFileePrepareDatabaseForEntrychirvol.cregexp.cremsgbittabnodelimbraslistbraelistgetrngelowsizebDBRndNextEntryWithPrefixrt_errormsganglepsetxyz_from_molregerrlDBSeqCurPossDBRemoveFirstStringcos@@GLIBC_2.0NAB_rrifgetc@@GLIBC_2.0rt_errormsg_2sDBPutValuecountmolstrandsDBZeroPrefix__strtod_internal@@GLIBC_2.0rename@@GLIBC_2.0NAB_mristrchr@@GLIBC_2.0rot4pcopymoleculeset_belly_maskfeof@@GLIBC_2.0dbDBSeqOpenungetc@@GLIBC_2.0_DYNAMICrot4bDBGetTableType__register_frame_info@@GLIBC_2.0connectresNAB_strcmpfree_matrixstrcmp@@GLIBC_2.0isspace@@GLIBC_2.0putpdbDBSeqGoto_fp_hwNAB_arpsDBRemoveControlAndPaddingDBSeqSkipDatafprintf@@GLIBC_2.0DBPushZeroPrefixgetenv@@GLIBC_2.0NAB_arfsplitfflush@@GLIBC_2.0nbraMAT_sprintunlink@@GLIBC_2.0circfNAB_aritransformptsgetcifsetpointloc2__assert_fail@@GLIBC_2.0free_vectorchirvolDBRndLoopEntryWithPrefixsedNAB_mnextGiDBLastErrornrerrordlDictLoopDBCloseziDictKeyComparecountstrandresiduessuperimposeMAT_fscanftell@@GLIBC_2.0MAT_getsyminfoDBPutTablebDBRndDeleteEntryzbDBParseSimpleHeadertolower@@GLIBC_2.0getresnamesetframesetreslibkind_initfputcifputcifmalloc@@GLIBC_2.0per_res_rmsdbDBGetValuefscanf@@GLIBC_2.0transformresDBPushPrefix__deregister_frame_info@@GLIBC_2.0locstorsionpDictDestroystrpbrk@@GLIBC_2.0MAT_concatstdout@@GLIBC_2.0stderr@@GLIBC_2.0dbDBRndOpenhypot@@GLIBC_2.0fputpdbsetxyzw_from_molvPDictFindgetresiduefseek@@GLIBC_2.0copyextbondstorsioncopystrandeigsrt_startvPDictNextfgets@@GLIBC_2.0loc1fputs@@GLIBC_2.0set_cons_maskstrstr@@GLIBC_2.0strlen@@GLIBC_2.0clear_attrtrans4setmol_from_xyzNAB_indexgetpdbqsort@@GLIBC_2.0anglecopyresiduesDBRemoveLeadingSpacesupd_molnumbersmake_rot_fnameDBSeqRewindivectorvPDictDeleteNAB_rnextstrncmp@@GLIBC_2.0imatrixaddstrandfree_ivectorNAB_arcDictAddMAT_istrue__bss_startaddresiduemainMAT_countrt_errormsg_s__libc_start_main@@GLIBC_2.0ipvectorcountmolatomsgetxvrmsdmatrixset_attr_ifbDBGetTablegetreslibkindrealloc@@GLIBC_2.0strcat@@GLIBC_2.0diedata_startbDBGetTypenewmoleculeprintf@@GLIBC_2.0_finiputxvsqrt@@GLIBC_2.0free_imatrixfclose@@GLIBC_2.1CompactDataBasedistpmergestrputbnd__cxa_finalize@@GLIBC_2.1.3setframepDBPopPrefixupdtransformstepstrspn@@GLIBC_2.0exit@@GLIBC_2.0alignframesscanf@@GLIBC_2.0_edata_GLOBAL_OFFSET_TABLE_free@@GLIBC_2.0_endMAT_sscancountmolresrt_errormsg_dcapatom_in_aexpracos@@GLIBC_2.0__ctype_b@@GLIBC_2.0NAB_newstringstdin@@GLIBC_2.0NAB_anextfreemoleculecopyparmtrans4pcheck_input_molstrncpy@@GLIBC_2.0transformmolMAT_fprintfopen@@GLIBC_2.1dDictCreategetline_IO_stdin_usedstrtok@@GLIBC_2.0setmol_from_xyzwputdistNAB_readstringsprintf@@GLIBC_2.0__data_startsin@@GLIBC_2.0_IO_getc@@GLIBC_2.0advancevectorsetreskindNAB_strcpyNAB_matcpycompileselect_atomsNAB_strcatsubstrjacobiNAB_rrcsDBRemoveSpaces__gmon_start__strcpy@@GLIBC_2.0newtransform