Logo: Nicole Maser
Molara
Molara is an open-source program for the 3-dimensional visualization of molecules and crystal structures. These are some of its main features:
- Import of .xyz, .coord, and POSCAR files
- Export of rendered structures as raster graphics
- Tools for creating custom molecular and crystal structures
- Animation of trajectories
- Display of molecular orbitals from molden files (currently Orca, Molpro, and Terachem)
- Display of densities from cube files
New features will follow soon!
Installation
Simple User installation
The easiest way to install Molara is from PyPi using pip.
pip install molara
After the installation, Molara can be started by calling molara from the command line.
Developer installation
If you want to contribute to Molara, you should install the package directly from source. To this end, you need to clone the repository:
git clone <this repo>
cd Molara
[!TIP] It is advisable to install Molara in a virtual Python environment.
Create & activate virtual environment on Linux / Mac:
python -m venv ./venv source ./venv/bin/activateCreate & activate virtual environment on Windows:
python -m venv .\venv .\venv\Scripts\activate.bat
Subsequently, Molara may be installed as follows.
pip install -e .
Known issues
Due to Apple's non existing support for OpenGL, displaying the indices of the atoms takes long for the first time. However after that it is instantaneous, even after restarting the program and rebooting the machine. As a solution we need to rework this routine with another strategy.
Building the documentation locally
To generate the documentation, install molara as follows:
pip install -e . molara[doc]
then run
cd docs
make html
Metadata
Release files for Molara 0.1.2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| molara-0.1.2.tar.gz | 2.2 MB | Details |
Built distributions (wheels)
Total release size: 82.0 MB
Release files / molara-0.1.2.tar.gz
| Download URL | molara-0.1.2.tar.gz |
|---|---|
| Size | 2.2 MB |
| Tags | Source |
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twine/6.1.0 CPython/3.13.7
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Transparency logRelease files / molara-0.1.2-cp310-cp310-macosx_11_0_arm64.whl
| Download URL | molara-0.1.2-cp310-cp310-macosx_11_0_arm64.whl |
|---|---|
| Size | 3.0 MB |
| Tags | CPython 3.10 macOS 11.0+ ARM64 |
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SHA-256 checksum How to use checksums |
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twine/6.1.0 CPython/3.13.7
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Provenance
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