MarchingCubeELD 1.1 beta 7
1/ Input from fou with 0 atom correctly handled
2/ layer_limit_prests.txt could contain custom 
layer preset prameters for different situation
Presets are activated in tha control panel ...
3/ forverd and baskward motion is now controled
by "a" and "s" keys
4/ "x" "y" and "z" kyes force view from given
axis direction as well as corresponding button
in the Control panel
5/ "+" and "-" key inmediatly shift the 2D map in
z direction (it change visible layer number)
6/ triangle statistick showes the scene complexity in About
dialogue box

MarchingCubeELD 1.1 beta 6

1/ More flexible atom parameters input form CRYSTALS -
nessesery for compatibility with new CRYSTALS version
having non-fixed number of parameters describing
the atom

MarchingCubeELD 1.1 beta 5

1/ Handled an POVRAY output bug generating cylinders
with 0 lenght.

2/ Added progress bar witch shows ELD map generation progress.

3/ Program accept .GRD output files from the XD ELD map calulation
system. 

MarchingCubeELD 1.1 beta 4b

Debugged an OpenGL call error
ELDmap_POVray_head.def contains more element definition (+element radius)
Only one MCE_pov.pov file with all definitions
is now generated as output.

MarchingCubeELD 1.1 beta 4a

the stereoscoscopic exe files were renamed
to MCEHWStereo.exe (HW OpenGL stereo mode)
and MCEInterlacedStereo.exe (interlaced stereo mode)
(the reason was an non specific filename
use in CRYSTALS Xcont.scp script)
The corrected Xcont.scp is now the part of
the distribution (you shud replace the original
one in Wincrys\script subdirectory)

MarchingCubeELD 1.1 beta 4

1/ The progame generates POVRAY MCE_pov.inc
file for the raytracing. The headr file
ELD_MAP_head.pov shuld be used for
raytracing of the .inc file via POVRAY.
Raytracing was tested with POVRAY  3.1 e.

2/ The code was recompiled under Visual Basic 6.
I hope that this will improve the stability.

MarchingCubeELD 1.1 beta 3

1/ It is possible to save the screen as an Targa image
 from the file menu

2/ The program could be run with two command line options
-StereoHW
-StereoInterlaced

This option activate the stereo mode of the program.
 The StereoHW option is suitable for graphic cards 
witch have built in OpenGL stereoscopic buffering
(Fire GL 1000 Pro, Oxygen GVX1 see www.stereographics.com
for details).
The -StereoInterlaced option is suitable for LCD glasses
with line-blanking hardware (VrJoy, Iart Eye3D see
www.stereo3d.com for details) and graphic
cards witch can work in interlaced mode. This option
will work on graphic cards without special stereo support.
Stencil buffer in the OpenGL implementation is necessary.

MarchingCubeELD 1.1 beta 2

1/ 2 D picking algorithm mode debugged, 2 D picking
precision is X/100 in X direction and Y/100 in Y direction
of the 2D grid ....

2/ Automatic peak deleting after new structure download
debugged

3/ Resetting quad. rotation for new data debugged

4/ OpenGL version diagnostic in About frame added

MarchingCubeELD 1.1 beta

Changes:

1/ File menu added

2/ Help menu added

3/ Control panel menu added

4/ Color of the background is now adjustable
(suitable for frame copy via the Alt-PrintScrn)

5/ Number of atoms is dynamically declared and
therefor unlimited. It is restricted by the maximal
number of bonds (100 000).

6/ 2 Dimensional map picking mode added ,
switch between the modes is done in control panel


MarchingCubeELD 1.0 (first beta version)

Changes:

1/ more flexible atom name input from ASCI file (1-4 atom
name length accepted)

2/
The output from latest version of WinGX from
 Mr. Lous Farugia was successfully tested.
It produce an ASCII (.fou) file in correct format.
(Example WinGX_ASCI_test.fou )
The atom coordinates are Cartesian
in this case. Cooperation with SHELX system
could be achieved in this way.
See flowing link for details:
http://www.chem.gla.ac.uk/~louis/wingx/

3/ and sample file with data input data structure 
description was added to distribution
(InputDescription.txt , .fou)

4/ the viewing parameters were changed (to avoid
molecule cat when zoomed)

5/ max. number of triangles forming the map
was changed from 600 000 to 1 200 000.
( 400 000 limit for one layer).
I hope that this will not make memory problem
on some machines ( I use 64 M for testing).
The 1 200 000 is probably big enough for any
data, even proteins. Such an number of triangles
will give about 1 fps on the best OpenGL HW
accelerated machines.


MarchingCubeELD alpha version 2

New futures:

1/ According to non stability of Microsoft OpenGL lib
the Microsoft OpenGL was replaced by the SGI (opengl.dll)
library. This lib have sometimes trouble to switch to
the native HW OpenGL drivers. This lead to drastically
increase in speed (if you have graphic card with OpenGL HW
acceleration). Let me know if you observe this behavior.

2/ the program now accept input from .mt1 bin file 
(old CRSYSTALS version) + from .fou ASCI file
(new CRYSTALS versions)

3/ you can associate the .fou and .mt1 files
with the program or run it with the
input filename as an command line parameter


MarchingCubeELD alpha version

MarchingCubeELD is a program written for visualization the output of SLANT Fourier
calculation from the Oxford CRYSTALS LS refinement package. The name is derived
 from Marching Cube algorithm used for mapping 3D function.
 Program is written in VisualBasic 6. It use OpenGL commands for the graphic operations
 - therefore it can use HW graphic acceleration ( you need and graphic card with OpenGL
 ICD drivers).  The complexity of the scene have some limits, I suggest to calculate
 the ELD map in a box about 5A x 5A x  6 layers  with step about 0.2 A.


The program accepts some commands from the keyboard:

h - shows the Control Panel
c - restore the centration of the scene
Esc - end of the program
a,z - move forward, back in the scene
cursor keys - move the scene
mouse + left key - rotate the scene 
mouse double click(left) - stop the motion

It is possible to add new peaks into the 3D Fourier map :

1- chose only one 3D layer
2- click using the right mouse button on the place where you want to have the peak
(the picking procedure is semi-intelligent and let you add peak only if the
graphic elements in this place are suitable for placing new peak)
3- an file newatoms.dat contain fract coord of new peak is automatically created
when you finish the program
4- the newatom.dat file could be read by CRYSTAL using this command sequence:

#EDIT
#USE newatoms.dat
end

Please send comments, list of required additional functions e.t.a. to husakm@vscht.cz . 
I can support other programs then CRYSTALS, but the output from this program
 must contain the same information
as mt1 output from CRYSTALS. Let me know if you want to cooperate in this field.
						
							Michal Husak
							Dep. of Solid State Chemistry
							Prague Institute of Chemical Technology
						166 28   Prague 6
							Czech Republic
						

							
						
				
							

