Pseudochemical 3d simulator
- python tkinter used
- 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 pyopengltk
Tested on:
- integrated Intel Iris Xe Graphics
Be careful. This application may create misconceptions about chemical interactions
Controls:
- Mouse + click - rotate camera
- Mouse + shift + click - move camera
- Mouse wheel - move camera forward and back
In merge mode (adding atoms or files):
- enter or double-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
Selection atoms
- molecule selection mode double-click an atom, then use the mouse wheel to add neighboring atoms to the selection ctrl + double-click - append/remove to/from selection enter or middle-button or double-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 (run before sometime for actual bonded state)
Do not view video parallel to use this simulator, the simulation may hang
Some examples:
