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
Q
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,
instead.
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
generated.
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
lines
#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 (dcf.xxx)
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.