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query or set colorcolor: no pattern specifiedSpecies %s has color <%s> rgb %.2f %.2f %.2fCannot identify color <%s>Cannot allocate color <%s>No species matches '%s'%s <%s> rgb %.2f %.2f %.2f shown as %.2f %.2f %.2f%7d: cannot allocate color.. use %d Could not allocate gray value %d Could not allocate gray value %d gray is %d %d %d Could not allocate gray value /BALL { 0 360 arc pop stroke } bind def /STICK { CP gsave setgray fill grestore stroke } bind def /STICK { CPW pop stroke } bind def /STICK { CP0 gsave setgray stroke grestore newpath} bind def /XDB { } bind def Cannot open output file %%%%EndPageSetup %.2f %.2f %.2f %8.1f%8.1f%8.1f BALL %6.2f%8.1f%8.1f%8.1f BALL (%s) %7.2f %7.2f LAB %6.2f [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] STICK showpage %%%%EOF matrix currentmatrix [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] concat 0 0 1 %7.2f %7.2f arc setmatrix matrix currentmatrix [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] concat 0 0 1 %7.2f %7.2f arc closepath setmatrix XDB gsave %6.2f setgray fill grestore stroke matrix currentmatrix [%7.1f%7.1f%7.1f%7.1f%7.1f%7.1f ] concat 0 0 1 0 360 arc setmatrix XDB gsave %6.2f setgray fill grestore stroke Error: %s increase internal dimension FBMAXincrease internal dimension NFRMAX: frame %d Reading Usage: spec label radius color - define speciesUsage: time msecs - set duration of each frame in animationUsage: tell i ... - tell xyz, distance, angle, or torsionUsage: atom label x y z - place atom at (x,y,z)Usage: bonds pat1 pat2 min max rad color - select bondsUsage: light vx vy vz - light along vector in bw mode)Usage: inc degrees - angle increment for rotationUsage: dist d - set distance for perspectiveUsage: frm n - goto frame nUsage: step n - set step for framesUsage: gramp slope [middle] - set gray ramp in bw mode)Usage: scale x - set overall scale factorUsage: rfac x - scale all sphere radii by xUsage: bfac x - scale all bond radii by xUsage: pos px py - set position on pageUsage: dpos x - set increment for positionUsage: time x - set duration time for frame [msec]No help available on %s%*s %d %d %d %dAtom number %d at position %d is too largeCoordinates X[%d]=%.4f Y[%d]=%.4f Z[%d]=%.4fDistance %d:%d is %.4f AAngle %d:%d:%d is %.4f degTorsion angle %d:%d:%d:%d is %.4f deg%*s %s %f %nincrease internal dimension NSPMAX%*s %s %f %f %f %f %f %fincrease internal dimension NAMAX%*s %s %s %f %f %f %nincrease internal dimension NBTMAX%*s %f %f %f %f %f %f %f %f %fNo frame %d available%*s %f %f %fUse standard coloringlight: only works in b/w mode%*s %f %f%*s %f %fUse standard coloringgramp: only works in b/w modeswitches%*s %d %d %d %d %d %d %d %d %dUndefined command: %sCannot understand line: %s Cannot open file %s * Saved %s from %s atom %6s %10.3f %10.3f %10.3f spec %6s %10.3f %.2f %.2f %.2f spec %6s %10.3f %s bonds %5s %5s %8.3f %8.3f %8.3f %.2f %.2f %.2f bonds %5s %5s %8.3f %8.3f %8.3f %s tmat %6.3f %6.3f %6.3f %6.3f %6.3f %6.3f %6.3f %6.3f %6.3f dist %8.3f inc %8.3f scale %8.3f rfac %.2f bfac %.2f pos %8.3f %8.3f gramp %8.3f %8.3f light %8.3f %8.3f %8.3f switches %d %d %d %d %d %d %d %d %d Saved in %sCannot open file %s frame %s %.3f %.3f %.3f Saved %d frames in %s and %s.68 .85 .901.0 0.2 0.20.65 0.7 0.70.8 0.0 1.00.0 0.8 0.00.9 0.9 0.70.2 1.0 1.00.8 0.8 0.8Undefined species %s Undefined species %s increase internal dimension NBMAXUsage: dup vx vy vz - duplicate shifted by vectorCannot dup for (0,0,0)Cannot dup, internal dimension FBMAX too smallCannot dup, internal dimension NAMAX too smallIncreased from %d to %d atomsUsage: cut vx vy vz a b - cut along vector at a and bcut: invalid vector (%.2f,%.2f,%.2f)No atoms were cutReduced from %d to %d atomsbond start end radius gray %3d %3d %3d %7.3f %6.2f PSWxdbond.. not changed yet PSWydbond.. not changed yet Number of frames: %d frame %-5d <%s> frame %-5d <%s> frame %-5d <%s> (%.2f,%.2f,%.2f)this cannot happen Usage: close - close current print fileclose: no print file is openUsage: print [-T] [-t title] [file] - print to PS file %s closed, %s opened, write(%d) to %sCannot update from file %sReading .. please waitUpdated from %s Updated from %s and %sstart ..Empty inputTry 'command ?' or press key hupdate: unknown flag %sUsage: save [-rgb] [-step n] file - save datasave: unknown flag %sSaving .. %s frame %d of %dprint: unknown flag %sPrint: %s closed after %d write%s%*s %f %f %f %f %f %f %f %f %f %f %f %f%*s %f %f %f %f %f%*s %s %n-autocolorUnknown flag %s Could not open input file %s Error: could not open display Busy Reading Reading .. please waitstart ..%d frames were read from %sNo frames in %sDone _ Busy Reading Reading .. please waitstart ..%d frames were read from %sNo frames in %sDone Last frameAnimate counterclockwiseAnimate clockwiseFirst frameMarked frame %dNo frame was markedMarked frame %d does not existAlready at frame %dGo back to frame %dNew home position: %.2f %.2fBonds as lines Bonds as cylinders Draw to pixmap bufferDraw to screenCOMMANDS for input line: help cmd - on-line help inc degrees - rotation increment time milisecs - frame duration tell ijkl - tell geometry pos x y - set position dpos dxy - shift increment dist d - set distance rfac fac - scale all radii bfac fac - scale all bonds scale fac - scale plot gramp slope mid - gray ramp light x y z - light direction step n - set frame step dup x y z - duplicate cut x y z a b - planar cut frm n - go to frame color pat cname - query or set color save fname - save data update fname - update from file print fname - postscript output close - close print fileINPUT data format: atom label x y z spec label radius color bonds lab1 lab2 min max radius color frame str x1 .. - add frame tmat t1 .. t9 - viewpointAlso COMMANDS which set parametersKEYS (KP=Keypad): i activate input line h help space info cursor rotate R/L, U/D , . rotate in plane + - zoom KP 8642 shift plot KP 7 shift home KP * set home r redraw n atom numbers c coordinates N bond lengths w wire mode g gray/bw b bonds l cylinders/lines p perspective a show axes s line shadows x pixmap buffer d D distance [ ] step frames fw/bk A animate 1,2,..N,1,2 C animate 1,2,..N,N-1.. < > animate back or forward { } first/last frame \ | mark/goto frame U update from file Q quit%d atom, %d atoms, %d bond %d bondsextent x %.2f to %.2f, y %.2f to %.2f, z %.2f to %.2ftmat %6.3f %6.3f %6.3f %6.3f %6.3f %6.3f %6.3f %6.3f %6.3fdist %.2f, scale %.2f, rfac %.2f, bfac %.2fgmode %s, ramp,slope %.2f %.2f, light %.2f %.2f %.2fpos (%.1f,%.1f), dpos %.1f, home (%.1f,%.1f)input %s %s, save %s, print %s, nprint=%d %5.2f %5.2f %5.2f inc=%.1f d=%.2f p=%sFrame %3d of %d (step %d) <%s>/BALL { 0 360 arc gsave setrgbcolor fill grestore stroke } bind def /BALL { 0 360 arc gsave setgray fill grestore stroke } bind def /BALL { 0 360 arc gsave %.2f setgray %.2f setlinewidth stroke grestore gsave setgray fill grestore stroke } bind def /STICK { CP gsave %.2f setgray %.2f setlinewidth stroke grestore gsave setgray fill grestore stroke } bind def /STICK { CP0 gsave %.2f setgray %.2f setlinewidth stroke grestore gsave setgray stroke grestore newpath} bind def /XDB { gsave %.2f setgray %.2f setlinewidth stroke grestore } bind def %%!PS-Adobe-3.0 %%%%Creator: bs %%%%Pages: 1 %%%%EndComments %%%%BeginPageSetup %%%%Page: 1 1 15 15 translate %%%%PageOrientation: Landscape 90 rotate 0 -580 translate /CP { %% Full cylinder path. Args: [CM1] [CM2] exch matrix currentmatrix exch concat 0 0 1 90 270 arc setmatrix matrix currentmatrix exch concat 0 0 1 -90 90 arc closepath setmatrix } bind def /CP0 { exch matrix currentmatrix exch concat 0 0 moveto setmatrix matrix currentmatrix exch concat 0 0 lineto setmatrix } bind def /CPW { exch matrix currentmatrix exch concat 0 0 1 90 630 arc setmatrix matrix currentmatrix exch concat 0 0 1 -90 450 arc closepath setmatrix } bind def /LAB { gsave 3 copy /Courier 9 selectfont 1 setgray 10 setlinewidth 1 setlinecap 3 add exch 2 add exch moveto stringwidth exch 4 sub exch rlineto stroke 0 setgray moveto show grestore} bind def Usage: update [-color] [-rv] [+rv] [-bw] [-st] [-auto] [file] - update from file Usage: xbs [flags] id -- ball-and-sticks plotting program Data is read from files id.bs and id.mv Flags: -geo gg set window geometry -sc x set scale factor -t title set window title -color use color -bw b/w with smooth grays -st b/w with stippled grays -rv reverse colors -autocolor chose own colors -hh long help Help: Enter 'xbs -hh' to get an overview. For on-line help, press key 'h' for the overview or use 'help ' or ' ?' in the input line for information on a specific command (including possible options). Request the input line with key 'i'. Settings: geometry %dx%d%+d%+d, scale %.2f, color %s, autocolor %s, stippled %s, reverse %s color %d, reverse %d, stippled %d, pixmap %d, gray %d, bonds %d, lines %din.bsSave.bsBs.ps >  (      "~ ~       >    @ >  "        ~          &d   x r~    >D$       ۺ @color w.rSNOT%sframe%-80s%f%f%f%s SNOT%sSNOTspectimetellatombondslightincdistfrmstepgrampscalerfacbfacposdpostimetellspecatombondstmatdistd%*s %ftime%*s %dinc%*s %ffrm%*s %dlightstep%*s %dscale%*s %frfac%*s %fbfac%*s %famp%*s %fposdpos%*s %fgrampw mvw HCOblueNPCLTI100010001%d%s%.2fPrint:%s %s?-hhelp%supdate-st-bw-color-auto-rv+rvbsmvsave-step-rgbbsprint-t-Tpsclosesdupcutcolor-geo-sc-t-st-bw-color-rv-hh-hbs..bs%s mv8x136x10%s ..%s Input: _ Input: ..%s +++ +++ %s View:Files:   |@W@ U5 j @UU!@UU@j@@Uj5|W@ @@@@@@@@@ @    @H@H4@> > ? ? ? ? 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