CRYSTALS_SCRIPTS
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
res
|
2022-04-28
|
janrohlicek
|
[r104]
Peak position optimisation
|
supporting_files
|
2016-06-01
|
janrohlicek
|
[r6]
- colored 2D maps
|
Atom.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
Atom.h
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
AtomLabel.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
AtomLabel.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
CalculateMapSetting.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
CalculateMapSetting.h
|
2017-08-21
|
janrohlicek
|
[r58]
- calculate map dlg finished
|
CalculateVolumeDlg.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
CalculateVolumeDlg.h
|
2017-08-29
|
janrohlicek
|
[r60]
- surface area calculation
|
CifReader.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
CifReader.h
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
ColorSupport.cpp
|
2018-05-07
|
janrohlicek
|
[r67]
- 2D maps with black isolevels
|
ColorSupport.h
|
2018-05-07
|
janrohlicek
|
[r67]
- 2D maps with black isolevels
|
EditParametersWindow.cpp
|
2016-06-15
|
janrohlicek
|
[r7]
- color settings, Periodic table and level map...
|
EditParametersWindow.h
|
2016-06-15
|
janrohlicek
|
[r7]
- color settings, Periodic table and level map...
|
EditPeakPosition.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
EditPeakPosition.h
|
2016-12-16
|
janrohlicek
|
[r24]
- fragment overlay
|
FragmentDBWindow.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
FragmentDBWindow.h
|
2022-04-27
|
janrohlicek
|
[r103]
FragmentDBWindow - final solution for CFileDialog
|
IO.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
IO.h
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
InterlaceStencil.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
InterlaceStencil.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
LOG.CPP
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.APS
|
2023-08-26
|
janrohlicek
|
[r114]
- FragmentDB link update
|
MCE.clw
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCE.dsw
|
2015-10-02
|
janrohlicek
|
[r3]
|
MCE.h
|
2017-08-09
|
janrohlicek
|
[r54]
- nicer GUI
|
MCE.opt
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.plg
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.rc
|
2023-08-26
|
janrohlicek
|
[r114]
- FragmentDB link update
|
MCE.sln
|
2016-11-10
|
janrohlicek
|
[r14]
- 2D map - Custom
|
MCE.suo
|
2017-08-15
|
janrohlicek
|
[r55]
- starting of fcf support
|
MCE.vcproj
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.vcproj.108-A-P10E.Jenda.user
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.vcproj.A-P10E.Jenda.user
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.vcproj.AP10-E.Honzik.user
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.vcproj.VIRTUALXP-91458.XPMUser.user
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCE.vcxproj
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCE.vcxproj.filters
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCE.vcxproj.user
|
2022-05-04
|
janrohlicek
|
[r105]
Shrinking map around selected Molecule
|
MCE2DMapPlaneDef.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCE2DMapPlaneDef.h
|
2016-11-10
|
janrohlicek
|
[r12]
- Custom2D map is almost working
|
MCECavity.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCECavity.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCEDataEngine.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCEDataEngine.h
|
2023-06-29
|
janrohlicek
|
[r112]
BUG repaired: When rotation of the fragment sel...
|
MCEDisplayStyle.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCEDisplayStyle.h
|
2019-06-19
|
janrohlicek
|
[r84]
|
MCEDoc.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCEDoc.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCEFindHbonds.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCEFindHbonds.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCEGeneralSetup.cpp
|
2019-05-20
|
janrohlicek
|
[r75]
- several changes about FOU format: e.g. atomi...
|
MCEGeneralSetup.h
|
2019-05-20
|
janrohlicek
|
[r75]
- several changes about FOU format: e.g. atomi...
|
MCEGenerateFace.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCEGenerateFace.h
|
2016-11-14
|
janrohlicek
|
[r15]
|
MCELevelControlPrimary.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCELevelControlPrimary.h
|
2020-09-07
|
janrohlicek
|
[r92]
- map levels are calculated from sigma value
|
MCELevelControlSecondary.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCELevelControlSecondary.h
|
2020-09-07
|
janrohlicek
|
[r92]
- map levels are calculated from sigma value
|
MCEMoveFragment.cpp
|
2022-04-20
|
janrohlicek
|
[r97]
- rotating fragment around bond - finished
|
MCEMoveFragment.h
|
2022-05-06
|
janrohlicek
|
[r106]
Picking atoms/molecules is much faster. glLoadN...
|
MCEOverlayAtomsDlg.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCEOverlayAtomsDlg.h
|
2016-12-16
|
janrohlicek
|
[r24]
- fragment overlay
|
MCEPeriodicTable.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCEPeriodicTable.h
|
2016-06-15
|
janrohlicek
|
[r8]
- completing the previous commit
|
MCEPictureSetup.cpp
|
2016-12-13
|
janrohlicek
|
[r23]
|
MCEPictureSetup.h
|
2016-12-13
|
janrohlicek
|
[r23]
|
MCESGsetup.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCESGsetup.h
|
2022-05-06
|
janrohlicek
|
[r106]
Picking atoms/molecules is much faster. glLoadN...
|
MCESupportRoutines.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCESupportRoutines.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCESupport_Routines.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCESupport_Routines.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MCEView.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCEView.h
|
2022-05-06
|
janrohlicek
|
[r106]
Picking atoms/molecules is much faster. glLoadN...
|
MCEVoidMap.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MCEVoidMap.h
|
2017-08-21
|
janrohlicek
|
[r58]
- calculate map dlg finished
|
MCEZmatrixDlg.cpp
|
2016-12-12
|
janrohlicek
|
[r21]
- Move peaks to distance and angle - ready to use
|
MCEZmatrixDlg.h
|
2019-05-16
|
janrohlicek
|
[r74]
|
MCE_changes.txt
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
MainFrm.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MainFrm.h
|
2022-04-27
|
janrohlicek
|
[r102]
Toolbar tooltips added
|
MapSetting2D.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MapSetting2D.h
|
2019-05-30
|
janrohlicek
|
[r78]
- color map settings is part of the last map s...
|
MyFileBrowser.cpp
|
2022-04-27
|
janrohlicek
|
[r103]
FragmentDBWindow - final solution for CFileDialog
|
MyFileBrowser.h
|
2022-04-27
|
janrohlicek
|
[r103]
FragmentDBWindow - final solution for CFileDialog
|
MyInternetSession.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MyInternetSession.h
|
2017-07-21
|
janrohlicek
|
[r48]
- Checking for updates
|
MyMessageBox.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
MyMessageBox.h
|
2019-06-19
|
janrohlicek
|
[r84]
|
OpenGLControl.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
OpenGLControl.h
|
2019-05-16
|
janrohlicek
|
[r74]
|
OpenGLDevice.cpp
|
2019-03-28
|
janrohlicek
|
[r68]
- FragmentDB
|
OpenGLDevice.h
|
2019-05-16
|
janrohlicek
|
[r74]
|
OptimizeAtomPositionInMap.cpp
|
2022-05-18
|
janrohlicek
|
[r109]
Bug repaired: Peak's position was not properly ...
|
OptimizeAtomPositionInMap.h
|
2022-04-28
|
janrohlicek
|
[r104]
Peak position optimisation
|
PPTEST.FOU
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
ReadMe.txt
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
Sg.cpp
|
2017-03-08
|
janrohlicek
|
[r26]
- SG matrix calculation bug repaired!!!
|
Sg.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
SgHeader.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
ShrinkMapDlg.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
ShrinkMapDlg.h
|
2022-05-04
|
janrohlicek
|
[r105]
Shrinking map around selected Molecule
|
StdAfx.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
StdAfx.h
|
2017-08-09
|
janrohlicek
|
[r54]
- nicer GUI
|
Structs.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
TabControl.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
TabControl.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
Trackball.cpp
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
Trackball.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
TrajectoriesSetting.cpp
|
2016-09-22
|
janrohlicek
|
[r9]
- trajectories
|
TrajectoriesSetting.h
|
2016-09-22
|
janrohlicek
|
[r9]
- trajectories
|
UnitCellDiffraction.cpp
|
2017-08-15
|
janrohlicek
|
[r55]
- starting of fcf support
|
UnitCellDiffraction.h
|
2017-08-15
|
janrohlicek
|
[r55]
- starting of fcf support
|
VoxelMap.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
VoxelMap.h
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
VoxelMap2D.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
VoxelMap2D.h
|
2022-05-04
|
janrohlicek
|
[r105]
Shrinking map around selected Molecule
|
VoxelVolume.cpp
|
2017-07-26
|
janrohlicek
|
[r51]
- VdW map calculation
|
VoxelVolume.h
|
2017-07-26
|
janrohlicek
|
[r51]
- VdW map calculation
|
WaitDialog.cpp
|
2025-01-30
|
janrohlicek
|
[r120]
MCE supports UNICODE, now
|
WaitDlg.h
|
2017-08-21
|
janrohlicek
|
[r58]
- calculate map dlg finished
|
arcball.cpp
|
2019-03-30
|
janrohlicek
|
[r69]
FragmentDB almost ready
|
arcball.h
|
2019-03-30
|
janrohlicek
|
[r69]
FragmentDB almost ready
|
boxes.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
cell_description.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
cell_table.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
color_setting.cpp
|
2019-05-30
|
janrohlicek
|
[r78]
- color map settings is part of the last map s...
|
color_setting.h
|
2019-05-30
|
janrohlicek
|
[r78]
- color map settings is part of the last map s...
|
control.txt
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
dsr_db.txt
|
2019-03-30
|
janrohlicek
|
[r69]
FragmentDB almost ready
|
env_var.h
|
2022-04-13
|
janrohlicek
|
[r94]
- saving cif files
|
log.h
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
log.txt
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
medenka.m40
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
my-2_tmp.cif
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
my-2_tmp.grd
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
resource.h
|
2022-05-04
|
janrohlicek
|
[r105]
Shrinking map around selected Molecule
|
resource.h.save
|
2015-10-02
|
janrohlicek
|
[r2]
- starting ...
|
rmsd.cpp
|
2016-12-16
|
janrohlicek
|
[r24]
- fragment overlay
|
rmsd.h
|
2016-12-16
|
janrohlicek
|
[r24]
- fragment overlay
|
version.h
|
2024-09-26
|
janrohlicek
|
[r119]
Crystals *.dat file export bug repaired
|