MoloVol
MoloVol is a free, cross-plattform, scientific software for volume and surface computations of single molecules and crystallographic unit cells.
This project is maintained by molovol
MoloVol is a free, cross-plattform, scientific software for volume and surface computations of single molecules and crystallographic unit cells. We aim to combine an intuitive and easy-to-use user interface with powerful computing algorithms. We want the software to serve a broad range of scientist by being easily accessible on all common platforms.
The software is being maintained and developed by Jasmin B. Maglic and Roy Lavendomme and is available on Windows (7, 8, 10, 11), macOS, Linux (Ubuntu, Debian), and as a web application.
News
We have released version 1.1.1 which introduces a small patch to increase the calculation speed by around 50%. Other than that, this version is equivalent to the previous version, so we encourage everyone to upgrade.
If you have previously experienced instability of the web app, its newest version fixes an issue that led to crashed. With this new change the web app should be more reliable.
Web Application
You can try out the software without installation directly through your browser. Simply follow the link above.
Download and Installation
New features and changes in the current and all previous releases can be found in the Changelog.
The source code of the current development build can be found in the Github Repository.
The source code for each stable release can be found in the Releases Section.
Scientific Reference
MoloVol v1.0.0 features and algorithms are presented in detail in an openly accessible scientific article published in the Journal of Applied Crystallography.
Please use the following or an equivalent citation:
Maglic, J.B. & Lavendomme, R. (2022). J. Appl. Cryst. 55, 1033-1044.
DOI: 10.1107/S1600576722004988
Getting Help
If you encounter a bug or have a request for a feature, you are more than welcome submit an issue to the project’s Issues page on GitHub.
Development Team
The development is currently lead by Jasmin B. Maglic and Roy Lavendomme. You may reach us via email through molovol@outlook.com
Calculation Showcase
MoloVol can calculate various types of surface areas and volumes of molecular systems and their cavities. Notably, MoloVol can generate surface maps to visualize the calculation results in graphics softwares such as PyMOL or ChimeraX. Images below were rendered with PyMOL Open-Source.
Many types of molecular systems can be analyzed such as:
Closed and Open Cages (from Small to Giant)
Macrocycles and Deep Cavitands
Crystalline Materials
