MolekuLab 1.0 - Open Source MatLab GUI
MolekuLab is a MatLab script with a Graphical User Interface. It is mainly designed to create, edit and export different kind of molecular structures. The manipulation of the structure’s elements is facilitated by special functions making use of the high level programming language of MatLab. Although no MatLab knowledge is necessary to use the program, it makes the first steps easier.
Main features:
- user defined basis sets for building periodic structures
- making selections by conditions on the elements, on atomic coordinates, on indices or on any logical combination of these
- making selections interactively by clicking on the atoms
- manipulation of atoms and geometrical transformations including: add / remove / set type / copy / move / rotate / align
- manipulation of atomic coordinates by equations
- displaying coordinates, distances and angles
- displaying neighbouring unit cells
- usual MatLab display tools: rotation, zoom, etc...
- highly customizable preparation of all the input files for a Siesta calculation http://www.nanotec.es/products/siesta.php
- import to / export from xyz format
- export as image
- unlimited undo/redo functions
- customizable representation of the elements
- tooltips and detailed help menu
Cite As
Csaba Peterfalvi (2024). MolekuLab 1.0 - Open Source MatLab GUI (https://www.mathworks.com/matlabcentral/fileexchange/37354-molekulab-1-0-open-source-matlab-gui), MATLAB Central File Exchange. Retrieved .
MATLAB Release Compatibility
Platform Compatibility
Windows macOS LinuxCategories
- Sciences > Physics > Atomic, Molecular & Optical >
- Sciences > Physics > Condensed Matter & Materials Physics >
Tags
Community Treasure Hunt
Find the treasures in MATLAB Central and discover how the community can help you!
Start Hunting!Discover Live Editor
Create scripts with code, output, and formatted text in a single executable document.
Source/
Version | Published | Release Notes | |
---|---|---|---|
1.0.0.0 |