*** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** Version - 010807/2.2 (C) 1992-2001 Gerard J. Kleywegt, Dept. Cell Mol. Biol., Uppsala (S) User I/O - routines courtesy of Rolf Boelens, Univ. of Utrecht (NL) Others - T.A. Jones, G. Bricogne, Rams, W.A. Hendrickson Others - W. Kabsch, CCP4, PROTEIN, E. Dodson, etc. etc. Started - Tue Nov 13 20:23:24 2001 User - A. Nonymous Mode - interactive Host - sarek ProcID - 10636 Not using a tty as input device *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** Reference(s) for this program: * 1 * G.J. Kleywegt (1997). Les amis d"O. CCP4/ESF-EACBM Newsletter on Protein Crystallography 34, September 1997, pp. 5-8. [http://xray.bmc.uu.se/usf/factory_8.html] * 2 * Kleywegt, G.J., Zou, J.Y., Kjeldgaard, M. & Jones, T.A. (2001). Around O. In: "International Tables for Crystallography, Vol. F. Crystallography of Biological Macromolecules" (Rossmann, M.G. & Arnold, E., Editors). Chapter 17.1, pp. 353-356, 366-367. Dordrecht: Kluwer Academic Publishers, The Netherlands. ==> For manuals and up-to-date references, visit: ==> http://xray.bmc.uu.se/usf ==> For downloading up-to-date versions, visit: ==> ftp://xray.bmc.uu.se/pub/gerard *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** Max nr of O data blocks (odb) : ( 100) Total nr of O data blocks : ( 400) Max nr of elements per odb : ( 11000) Max length of text odbs : ( 72) Symbol START_TIME : (Tue Nov 13 20:23:24 2001) Symbol USERNAME : ( ) ODBMAN options : ? (list options) ! (comment) QUit $ shell_command & symbol value & ? (list symbols) @ macro_file ECho on_off # parameter(s) (command history) REad filename WRite odb* filename DElete odb* TYpe odb* FOrmat RIC_odb* new_format NAme odb new_name CReate name type nr_elements format DUplicate old_odb new_odb LIst odb* STats RI_odb* HIsto RI_odb* x1 x2 x3 [...] BOxcar R_odb* window_size SImilarity RI_odb1 RI_odb2* [min] [max] [how] ALl_correlations [min] [max] [how] NOn_parametric RI_odb1 RI_odb2* [min] [max] [how] PLot_file RI_odb file [y_lo y_hi label_x label-y] SCatter RI_odb1 RI_odb2 file [label_x label_y] 3D_odl_file RI_odb1 RI_odb2 RI_odb3 file [colour] CGraph_file RI_odb* file CHaracter_function CT_odb function INteger_func I_odb function value FLoat_func R_odb function value SEt ALl odb value SEt MAny odb first last value SEt INdiv odb first last [values] SEt ONe odb index value SEt IF odb other_odb operator value SEt KEep odb first last [step] COmbine RI_odb1 RI_odb2 operator EXtract FIeld odb type file head_skip line_skip field_nr EXtract FOrmat odb type file head_skip line_skip format EXtract MUltiple odb type file head_skip format EXtract PRocheck mol_name file Max nr of O data blocks (odb) : ( 100) Total nr of O data blocks : ( 400) Max nr of elements per odb : ( 11000) Max length of text odbs : ( 72) Execute initialisation macro : (/home/gerard/odbman.init) ... Opened macro file : (/home/gerard/odbman.init) ... On unit : ( 61) Command > (! ODBMAN initialisation macro) Command > (echo on) 1 @ /home/gerard/odbman.init 2 ! ODBMAN initialisation macro 3 echo on ... End of macro file ... Control returned to terminal ODBMAN > Command > (read rv.odb) ! Created by RVAL V. 011113/0.8 at Tue Nov 13 20:23:20 2001 for gerard ! ! Resolution Read : (RESOLUTION R 10674 (10F8.3)) ! ! Year Read : (YEAR I 10674 (16I5)) ! ! R-value Read : (RVALUE R 10674 (10F8.4)) ! ! Has OMAP in EDS flag Read : (HASMAP I 10674 (40I2)) Nr of datablocks read : ( 4) Nr of header/comments : ( 13) Datablock read okay ODBMAN > Command > (list *) Datablock name Type Nr Alt? Format RESOLUTION R 10674 F (10F8.3) RVALUE R 10674 F (10F8.4) YEAR I 10674 F (16I5) HASMAP I 10674 F (40I2) ODBMAN > Command > (stats *) Stats : (RESOLUTION) Nr of elements : ( 10674) Minimum : ( 5.400E-01) Maximum : ( 4.000E+00) Sum : ( 2.314E+04) Average : ( 2.168E+00) St-devn : ( 4.543E-01) Variance : ( 2.064E-01) Stats : (RVALUE) Nr of elements : ( 10674) Minimum : ( 5.750E-02) Maximum : ( 4.400E-01) Sum : ( 2.052E+03) Average : ( 1.922E-01) St-devn : ( 2.934E-02) Variance : ( 8.609E-04) Stats : (YEAR) Nr of elements : ( 10674) Minimum : ( 1.991E+03) Maximum : ( 2.000E+03) Sum : ( 2.132E+07) Average : ( 1.997E+03) St-devn : ( 2.375E+00) Variance : ( 5.641E+00) Stats : (HASMAP) Nr of elements : ( 10674) Minimum : ( 0.000E+00) Maximum : ( 1.000E+00) Sum : ( 3.254E+03) Average : ( 3.049E-01) St-devn : ( 4.603E-01) Variance : ( 2.119E-01) ODBMAN > Command > (histo year 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000) Histrogram limits : ( 1.991E+03 1.992E+03 1.993E+03 1.994E+03 1.995E+03 1.996E+03 1.997E+03 1.998E+03 1.999E+03 2.000E+03) Histogram : (YEAR) Nr < 1991.0000 : 0 ( 0.00 %; Cum 0.00 %) Nr >= 1991.0000 and < 1992.0000 : 133 ( 1.25 %; Cum 1.25 %) Nr >= 1992.0000 and < 1993.0000 : 386 ( 3.62 %; Cum 4.86 %) Nr >= 1993.0000 and < 1994.0000 : 600 ( 5.62 %; Cum 10.48 %) Nr >= 1994.0000 and < 1995.0000 : 774 ( 7.25 %; Cum 17.73 %) Nr >= 1995.0000 and < 1996.0000 : 879 ( 8.23 %; Cum 25.97 %) Nr >= 1996.0000 and < 1997.0000 : 1100 ( 10.31 %; Cum 36.28 %) Nr >= 1997.0000 and < 1998.0000 : 1432 ( 13.42 %; Cum 49.69 %) Nr >= 1998.0000 and < 1999.0000 : 1727 ( 16.18 %; Cum 65.87 %) Nr >= 1999.0000 and < 2000.0000 : 1981 ( 18.56 %; Cum 84.43 %) Nr >= 2000.0000 : 1662 ( 15.57 %; Cum 100.00 %) ODBMAN > Command > (histo rvalue 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5) Histrogram limits : ( 5.000E-02 1.000E-01 1.500E-01 2.000E-01 2.500E-01 3.000E-01 3.500E-01 4.000E-01 4.500E-01 5.000E-01) Histogram : (RVALUE) Nr < 0.0500 : 0 ( 0.00 %; Cum 0.00 %) Nr >= 0.0500 and < 0.1000 : 16 ( 0.15 %; Cum 0.15 %) Nr >= 0.1000 and < 0.1500 : 527 ( 4.94 %; Cum 5.09 %) Nr >= 0.1500 and < 0.2000 : 6296 ( 58.98 %; Cum 64.07 %) Nr >= 0.2000 and < 0.2500 : 3523 ( 33.01 %; Cum 97.08 %) Nr >= 0.2500 and < 0.3000 : 272 ( 2.55 %; Cum 99.63 %) Nr >= 0.3000 and < 0.3500 : 28 ( 0.26 %; Cum 99.89 %) Nr >= 0.3500 and < 0.4000 : 10 ( 0.09 %; Cum 99.98 %) Nr >= 0.4000 and < 0.4500 : 2 ( 0.02 %; Cum 100.00 %) Nr >= 0.5000 : 0 ( 0.00 %; Cum 100.00 %) ODBMAN > Command > (histo resolution 0.5 0.75 1 1.2 1.4 1.6 1.8 2 2.2 2.4 2.6 2.8 3 3.25 3.5 3.75 4) Histrogram limits : ( 5.000E-01 7.500E-01 1.000E+00 1.200E+00 1.400E+00 1.600E+00 1.800E+00 2.000E+00 2.200E+00 2.400E+00 2.600E+00 2.800E+00 3.000E+00 3.250E+00 3.500E+00 3.750E+00 4.000E+00) Histogram : (RESOLUTION) Nr < 0.5000 : 0 ( 0.00 %; Cum 0.00 %) Nr >= 0.5000 and < 0.7500 : 2 ( 0.02 %; Cum 0.02 %) Nr >= 0.7500 and < 1.0000 : 46 ( 0.43 %; Cum 0.45 %) Nr >= 1.0000 and < 1.2000 : 79 ( 0.74 %; Cum 1.19 %) Nr >= 1.2000 and < 1.4000 : 120 ( 1.12 %; Cum 2.31 %) Nr >= 1.4000 and < 1.6000 : 420 ( 3.93 %; Cum 6.25 %) Nr >= 1.6000 and < 1.8000 : 1006 ( 9.42 %; Cum 15.67 %) Nr >= 1.8000 and < 2.0000 : 2152 ( 20.16 %; Cum 35.83 %) Nr >= 2.0000 and < 2.2000 : 1957 ( 18.33 %; Cum 54.17 %) Nr >= 2.2000 and < 2.4000 : 1566 ( 14.67 %; Cum 68.84 %) Nr >= 2.4000 and < 2.6000 : 1288 ( 12.07 %; Cum 80.91 %) Nr >= 2.6000 and < 2.8000 : 748 ( 7.01 %; Cum 87.91 %) Nr >= 2.8000 and < 3.0000 : 643 ( 6.02 %; Cum 93.94 %) Nr >= 3.0000 and < 3.2500 : 507 ( 4.75 %; Cum 98.69 %) Nr >= 3.2500 and < 3.5000 : 67 ( 0.63 %; Cum 99.32 %) Nr >= 3.5000 and < 3.7500 : 58 ( 0.54 %; Cum 99.86 %) Nr >= 3.7500 and < 4.0000 : 9 ( 0.08 %; Cum 99.94 %) Nr >= 4.0000 : 6 ( 0.06 %; Cum 100.00 %) ODBMAN > Command > (all) Hit # #Elem Corr-C RMS Diff --- Datablock 1 --- --- Datablock 2 --- 1 10674 0.406 2.0249E+00 RESOLUTION RVALUE 2 10674 -0.037 1.9949E+03 RESOLUTION YEAR 3 10674 -0.020 1.9743E+00 RESOLUTION HASMAP 4 10674 0.238 1.9968E+03 RVALUE YEAR 5 10674 -0.051 4.7628E-01 RVALUE HASMAP 6 10674 0.006 1.9967E+03 YEAR HASMAP Nr of hits : ( 6) ODBMAN > Command > (non year *) Hit # #Elem Rank-C Prob Z(D) Prob --- Datablock 1 --- --- Datablock 2 --- 1 10674 -0.099 1.5E-24 4.281 1.9E-05 YEAR RESOLUTION 2 10674 0.220 0.0E+00 -27.567 0.0E+00 YEAR RVALUE ERROR --- BETACF - argument too big or ITMAX too small Nr of hits : ( 2) ODBMAN > Command > (non rvalue *) Hit # #Elem Rank-C Prob Z(D) Prob --- Datablock 1 --- --- Datablock 2 --- 1 10674 0.335 0.0E+00 -35.397 0.0E+00 RVALUE RESOLUTION 2 10674 0.220 0.0E+00 -27.567 0.0E+00 RVALUE YEAR ERROR --- BETACF - argument too big or ITMAX too small Nr of hits : ( 2) ODBMAN > Command > (scatter year resolution resolution_vs_year.plt) X label : (Value of YEAR) Y label : (Value of RESOLUTION) X lower : ( 1.991E+03) X upper : ( 2.000E+03) Y lower : ( 3.670E-01) Y upper : ( 4.173E+00) O2D plot file written ODBMAN > Command > (scatter year rvalue rvalue_vs_year.plt) X label : (Value of YEAR) Y label : (Value of RVALUE) X lower : ( 1.991E+03) X upper : ( 2.000E+03) Y lower : ( 3.838E-02) Y upper : ( 4.591E-01) O2D plot file written ODBMAN > Command > (scatter resolution rvalue rvalue_vs_resolution.plt) X label : (Value of RESOLUTION) Y label : (Value of RVALUE) X lower : ( 3.670E-01) X upper : ( 4.173E+00) Y lower : ( 3.838E-02) Y upper : ( 4.591E-01) O2D plot file written ODBMAN > Command > (scatter resolution hasmap hasmap_vs_resolution.plt) X label : (Value of RESOLUTION) Y label : (Value of HASMAP) X lower : ( 3.670E-01) X upper : ( 4.173E+00) Y lower : ( -5.000E-02) Y upper : ( 1.050E+00) O2D plot file written ODBMAN > Command > (scatter year hasmap hasmap_vs_year.plt) X label : (Value of YEAR) Y label : (Value of HASMAP) X lower : ( 1.991E+03) X upper : ( 2.000E+03) Y lower : ( -5.000E-02) Y upper : ( 1.050E+00) O2D plot file written ODBMAN > Command > (quit) STOP ... Toodle pip ... statement executed *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** Version - 010807/2.2 Started - Tue Nov 13 20:23:24 2001 Stopped - Tue Nov 13 20:23:27 2001 CPU-time taken : User - 2.2 Sys - 0.3 Total - 2.5 *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** >>>>>>>>>>>>>> USF .... Uppsala Software Factory <<<<<<<<<<<<<< >>>>>>>>>> This program: (C) 1992-2001, G J Kleywegt <<<<<<<<<< >>>>>>>>>>>>>>>> E-mail: gerard@xray.bmc.uu.se <<<<<<<<<<<<<<<< >>>>>>>>>>>>>>>>>> http://xray.bmc.uu.se/usf <<<<<<<<<<<<<<<<<< *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN *** ODBMAN ***