Pseudochemical 3d simulator
- PyQt5
- opengl 4.3 with compute shader used for parallel computation
- not release by now
for use install libraries:
- python -m pip install pillow numpy pyglm pyopengl pyqt5
Tested on:
- integrated Intel Iris Xe Graphics
Be careful. This application may create misconceptions about chemical interactions
Controls:
- Mouse + left button - rotate camera
- Mouse + right button - move camera left and right
-
+shift - gently - Mouse wheel - move camera forward and back
In merge mode (adding atoms or files):
- enter or click - do merge
- mouse wheel - change parameter
- mouse wheel + shift - slow change
- mouse wheel + control - move camera forward and back
- g - move, x,y,z for select axis
- r - rotate object, x,y,z for select rotate axis
- a - rotate object in special axis, setted in selection mode
Selection atoms
- molecule selection mode
- click an atom, then use the mouse wheel to add neighboring atoms to the selection
- ctrl + click - append/remove to/from selection
- enter or click on selection - go to merge mode with selected atoms
- also "r" and "g" - go to merge mode with move and rotation
- - delete selected
- ctrl + alt + s - save selected atoms
- "b" - try to bond two selected atoms with selected nodes, resutl in statusbar
- middle button for change selected node in selected atom
- Right mouse button on selected - context menu for actions
- a new atom can be grown from the selected atom node using the numeric keys
- "a" - set axis in direction of selected node
qt5 issue issue error: could not find or load the Qt platform plugin "windows" in "" resolution: set QT_QPA_PLATFORM_PLUGIN_PATH environment variable to %PythonPath%\Lib\site-packages\PyQt5\Qt5\plugins\platforms
Some examples:
