Installation

This page walks you through installing MolSysViewer and checking that it works.

Install with conda

MolSysViewer is distributed through the uibcdf conda channel. For most users, conda is the easiest and most reliable way to get a working setup.

If you are starting fresh, we recommend creating a dedicated conda environment so your Jupyter stack and scientific dependencies stay consistent. For example:

conda create -n molsysviewer-env -c uibcdf molsysviewer
conda activate molsysviewer-env

If you already have an environment you want to use, just install the package:

conda install -c uibcdf molsysviewer

You do not need to manually manage individual dependencies. Conda will resolve and install the required packages for you.

Under the hood, MolSysViewer relies on anywidget (for the Jupyter widget layer), and it is designed to work smoothly with MolSysMT and PyUnitWizard. When you use conda, you do not need to install these dependencies manually.

If you plan to work in Jupyter, we recommend installing Jupyter in the same environment and launching it from there. For example:

conda install jupyterlab

Sanity check

Once installed, you can try opening a built-in demo system:

import molsysviewer as viewer

view = viewer.demo["1TCD"]
view.show()

In case this does not work, see Troubleshooting.

Install from source (developers)

If you are contributing to MolSysViewer or you need a source checkout, follow the Developer guide section of the documentation.