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List of killed bugs

The following is a list of all bugs which have been detected and corrected in any of the SCHAKAL 99 versions. Most recently detected bugs are on the top. The list contains the date of correction and the version(s) which were affected. Copies of the program which were downloaded after the date of correction are supposed to be free of the corresponding bug.

21  18. Jan. 05       After generation of a packing diagram the drawing of a
    All versions      Fourier background caused a program crash.

20  18. Jan. 05       Drawing outlines of cup models could in very rare cases
    All versions      cause a program crash.

19  18. Jan. 05       A text editor specified in  sch99win.ini  was not acti-
    Win version       vated in case the "sleeper" time was set to zero.

18  07. Apr. 03       The built-in editor lacked a "Save as" function.
    Win version       Names of files opened via { OPEN } were previously not 
                      taken as defaults for "empty" file names.

17  07. Apr. 03       In ionic structures the program generated bonds between
    All versions      larger cations (like Rb+).

16  07. Apr. 03       The reading of CIF files containing no symmetry operators  
    All versions      but only a space group symbol instead could lead to the 
                      error message "Read or file ERROR".

15  07. Apr. 03       After 'Kill Last' and 'Kill Region' the colour was
    All versions      fixed to the background colour (could be fixed by
                      'Set Colour - 1').

14  15. Oct. 02       CIF files generated by the program GSAS could not be
    All versions      translated.

13  15. Oct. 02       The program used to crash after the following 
    Win version       sequence of commands:
                      G D n      (n = 3,4)
                      G D  

12  15. Oct. 02       In rare cases, special H bonds were not detected by
    All versions      { cryst / bld+h } and { cryst / bld+hp }. This can
                      be overcome by editing the file   build.scf   in the
                      /scf subdirectory of the SCHAKAL 99 main directory:

                      Replace the two occurrences of the line     
                      &EXpand -4      by the line    &EXpand  2.75  
                      or take a corrected version of   build.scf   from 
                      the DOWNLOAD section.                     

11  17. May  02       During the translation of a CIF file the symmetry 
    All versions      operations were not transferred in special cases. 
                      Multiple data sets in a CIF file could not be handled.

10  17. May  02       The command 'SET Colour 1 -1' didn't work correctly 
    All versions      for the postscript device.

 9  17. May  02       The command 'WRT Text x y ACs "string"' didn't
    All versions      work correctly when x was negative.

 8  17. May  02       In some packing diagrams with H bonds some of the
    All versions      terminal H bonds (pointing to the environment)
                      were omitted.

 7  12. Sep. 01       An attempt to generate a surface model of the face
    All versions      (2 1 1) of a rhombohedral structure (hex. axes)
                      could result in a program crash or an "alternative
                      unit cell" of thickness zero.                      

 6  12. Sep. 01       Few parts of the on-line manual were missing. To fix
    All versions      this you may replace the file  sch99.mn2  in the
                      SCHAKAL 99 main directory by the one in the 
                      DOWNLOAD section.

 5  03. Jul. 01       Parts of the "Info -8" of the on-line manual
    All versions      (--> 0 -8) were not displayed on the screen. To fix
                      this, you may replace the file  sch99.mn1 in the
                      SCHAKAL 99 main directory by the one in the 
                      DOWNLOAD section.

 4  04. Apr. 01       pellucidity effects (generated e.g. by the default 
    Win version       procedure of { varyZ }) came out too weak with the
                      "Windows printer" (Device no. 8).

 3  21. Aug. 00       Clicking into the "stepw" bar (4th row of the
    All versions      on-screen rotation box) produced faulty results,
                      in certain cases.

 2  01. Feb. 00       The "sleeper" function didn't work correctly.
    Win version       To switch off the sleeper permanently, set the
                      corresponding number in  sch99win.ini to zero.
 1  26. Jan. 00       A new directory was maintained by the program
    All versions      even if the corresponding file name was input 
                      from a Command file. However, the program is
                      supposed to change directories only when 
                      this is invoked by explicite input from the
                      keyboard or GUI.

The following list contains the detected & removed bugs for SCHAKAL 97
(obsolete now, but maintained here for historical reasons). Bugs flagged with "*" were also residing in earlier versions of SCHAKAL.

42* 28.Dec.99         A 'GRup n' card (n>1) before the first ATom card
    All versions      in a data set caused the program to crash at the 
                      attempt to generate packing diagrams. 
                      (Found by M.U.Schmidt).

41* 25.Nov.99         If black colour was selected via 'SET ColOth' or
    All versions      via 'S C 99 0 1', orange colour was activated,

40  19.Nov.99         For the Windows printer (Device no. 8), vertical
    Win versions      lines showed a very small slanting which made, 
                      e.g., characters look slightly deformed.         

39* 19.Nov.99         In rare cases it could happen that the scale
    All versions      factor for the monitoring of a printer drawing
                      on the screen was miscalculated (a bug with
                      no severe consequences).

38* 19.Nov.99         Another bug in the H-bonds-finding routines
    All versions      could cause wrong intramolecular H-bonds to be 
37* 19.Mar.99         When generating packing diagrams with H bonds
    All versions      via { cryst / bld+hp } the following errors
                      could occur in special cases:
                      a) wrong H bonds to C-bonded H atoms
                      b) some missing terminal H bonds

                      For models generated by { cryst / bld+h }  
                      these errors didn't occur.
                      (Found by M. Westermayer)

Bugs 1 to 36          are removed with the update of January, 1999
36* 09.Jan.99         If a data set contains atoms with a distance of
    All versions      less than 0.5 A, the program gives the message
                      "atom nnn and atom mmm only xxx A apart".
                      "xxx" equaled the square of the distance
                      instead of the distance itself. Furthermore,
                      messages of this kind were in some cases 
                      erased immediately after they had been displayed.
                      In the debugged version, the message is
                      given only for unique atom pairs (where one 
                      partner belongs to the asymmetric unit). 
35  11.Dec.98         Under Linux, saving and restoring of TIFF images
    Linux version     could lead to a program crash; the 2nd, 3rd,
                      etc. saved image was always identical to the
                      1st one.

                      To fix this, please edit the file  xgraph.c 
                      in your SCHAKAL main system directory. In the

                      #if defined LINUX
                        idevice = 21;

                      replace "21" by "16" .

                      Then re-make the program by

                      make -f makefile.x        plus, possibly, ...
                      touch xgraph.c
                      make -f makefile.xgl

34  27.Nov.98         When displaying one of its own .eps files (e.g. 
    All versions      after 'U P 1' or 'K X'), it could happen that
                      some details of the drawing were misplaced 
                      (although the file was o.k.).

33* 30.Oct.98         The command 'C R ! ..' did not work correctly
    All versions      (this command changes the default radii of
                      the specified atom types).
                      Note: The command 'C T !..' which is "suggested"
                      by the GUI, is not implemented; it has the same
                      effect as 'C T ..' !

32  17.Jul.98         The following sequence led to an unwanted
    All versions      erasure of a printer file:
                      G D * 6     (switch on a B/W printer device)
                      X           (draw anything)
                      G D         (switch back to screen device)
                      G D * 6     (switch back to the B/W pr. dev.)

                      On the last action the file was re-visualized
                      on the screen, but then erased.

                      The bug is in the file  devini.scf
                      An updated version of this file can be
                      downloaded from the download section (

31  8.Jul.98          When an Input file was called from an Echo
    All versions      file, and the Input file contained the
                      'ASSm C' card plus some commands, actions
                      like drawing a line ('X L') or positioning
                      a text ('W T') which were on the Echo file
                      were not performed correctly.

30* 2.Jul.98          One of the text colours was wrong when
    All versions      a palette with less than 6 colour steps
                      per main colour was chosen.

29  1.Jul.98          After a modification of the program's
    Win versions      palette, sometimes the text colours
                      (in the text window) were wrong

28  1.Jul.98          The palette produced with 'G P -n ..'
    Win versions      contained black colour at a wrong position

27  1.Jul.98          The underscore character was in some cases
    Win versions      invisible within the text window

26  30.Jun.98         On a fast PC (P300), on-screen rotations
    Win 32            driven by the mouse sometimes didn't stop
                      when the mouse button was released.
                      This was overcome by inserting a waiting
                      period of 0.015 sec before each call of
                      the mouse checking routines.
                      'G D ! 4 1'    cancels this measure
                      'G D ! 4'      re-installs it
                      'G D ! 4 0 p'  multiplies 0.015 by p
    Win 16            The same mechanism has also been built
                      into the Win16 version. However, here,
                      the effect is switched off per default.

25  18.Jun.98         On some computers still error no. 7 was
    Win 32            observed. This led to the implementation of the
                      command 'G D ! 3' which makes SCHAKAL replace
                      black generally by the darkest colour step
                      of grey (screen images only). 'G D ! 3'
                      can be inserted into the file  sch97.ini .
                      Its effect is cancelled by 'G D ! 3 1' .

24  27.May 98         A non-conventional space-group symbol was mis-
    All versions      interpreted if the corresponding card did not
                      have exactly the two letters "SP" in the first
                      two columns.

23* 29.Apr.98         If a plane was defined by exactly 3 atoms
    All versions      (via 'Def Plane'), the 'Align Plane' procedure
                      sometimes worked improperly. The same was valid
                      for lines defined by exactly 2 atoms.

22  11.Mar.98         When an Outputfile or a Savefile was to be
    All versions      opened from within a Command file, and the
                      file was already existing, a message appeared.
                      Answering to this message could cause the
                      program to hang. Now, no message is given
                      any more: the old file will be overridden
                      without a query (only if the action is in-
                      voked by a command within a Command file !).

21  11.Mar.98         If the input of a file name was cancelled by
    DOS, UNIX         "n", while an Echo file was open, this could
                      cause the Echo file to terminate when executed
                      as a Command file.

20  11.Mar.98         File names selected from a file name list
    DOS, UNIX         were transferred into an Echo file but could
                      not be read when this Echo file was executed
                      as a Command file.

19  11.Mar.98         File names selected from (or specified within) a
    Win versions      file selection box were not transferred into
                      an Echo file

18  10.Mar.98         The name of a (new) Input file onto which an
    Win versions      Xtaldata File was to be translated could not be
                      given within a file selection box.

17  10.Mar.98         The file name "=" didn't work, when the file name
    All versions      of the reference file was given completely (with
                      a leading blank space).
    Win versions      This also pertains to Win versions, if the file
                      name was taken from a file selection box

16  05.Mar.98         In a multi-user environment, the file sch97.mn0
    All versions      was read from the "SCHAKAL 97 System directory"
                      instead of from the "SCHAKAL 97 User directory".

15  05.Mar.98         ICSD data (print-on-file format) were misinterpre-
    All versions      ted when coordinates were given as 1/2, 1/3, etc.

14  05.Mar.98         Postscript files contained the string "SCHAKAL 96"
    All versions      instead of "SCHAKAL 97"

13* 02.Feb.98         Correcting label positions didn't work for a
    All versions      printer device if the scale factor was fixed.

12* 23.Jan.98         With 'EXpa 0 y z', "0" was replaced by "2" (as
    All versions      is done - correctly - for a plain 'EXpa')

11  22.Jan.98         RADIUS  with atom code specified didn't work, if
    All versions      the atom name ended with a letter (e.g.: Bi2c)

10  14.Jan.98         the keys  < , > , and |  did not work for
    Win versions      text input.

 9  23.Dec.97         The control field { x }  (3rd row, 1st column)
    All versions      was not replaced by  { r }  at a switch back to
                      the screen device.

 8  22.Dec.97         In contrast to SCHAKAL 92, SCHAKAL 97 rejects an
    All versions      atom in an editable Input file, if it is on the
                      same position as another atom which already has been
                      read in. By fault, this was also done, when one of
                      the two atoms was the corner of a 3D straight line
                      (an "Anjk" atom).

 7  15.Dec.97         Saving screen images as TIFF or .pcx files led to
    Win32 (under      the following error: black pixels of an image
    Windows 95        were stored as white instead of black. See also
    only)             bug no. 25.

 6  15.Dec.97         A purely black or white background was stored with
    Win versions      a very slightly wrong colour on TIFF or .pcx files.
 5  15.Dec.97         Suppressing of text output with 'L O n', when given
    All versions      from the keyboard, could not be cancelled any more.

 4  10.Dec.97         If the GUI was switched off and on while automatic
    All versions      screen erasing was switched off, the screen would
                      look a little messy, sometimes. Now, automatic
                      screen erasing is switched on whenever the GUI is
                      switched on or off.

 3  10.Dec.97         If the GUI was switched off ({ > } or 'Z M 1')
    Win versions      text in the text window was invisible from time
                      to time; furthermore, screen erasing reset any
                      background colour to black.

 2  02.Dec.97         If the GUI was switched off ({ > } or 'Z M 1')
    Win versions      and then switched on again, the text window
                      appeared at the wrong position.

 1  01.Dec.97         A .pcx file with enhanced resolution could not
    All versions      be generated (in contrast to a TIFF file with
                      enhanced resolution).
                      Remark: to have a .pcx file with enhanced reso-
                      lution generated, sch97.ini has to be modified
                      ('U S -n': interchange ".pcx" and ".tif")
                      This should not be done if not really necessary. 

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