[HTML][HTML] CineMol: a programmatically accessible direct-to-SVG 3D small molecule drawer

D Meijer, MH Medema, JJJ van der Hooft�- Journal of Cheminformatics, 2024 - Springer
… methods, such as Blender and PyMOL. Blender and PyMOL are desktop applications that
provide both a command line interface and a Python application programming interface (API). …

PySSA: end-user protein structure prediction and visual analysis with ColabFold and PyMOL

H Kullik, M Urban, J Schaub, A Loidl-Stahlhofen… - 2024 - chemrxiv.org
… wild-type of the predicted protein), and protein hotspot analysis capabilities, PySSA employs
the established open-source molecular structure visualisation and analysis system PyMOL […

PlayMolecule Viewer: a toolkit for the visualization of molecules and other data

M Torrens-Fontanals, P Tourlas, S Doerr…�- Journal of Chemical�…, 2024 - ACS Publications
Molecular visualization is an essential tool for computational chemists and biologists, enabling
them to explore and understand complex protein structures and unravel vital insights for …

CageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages

V Mart�-Centelles, TK Piskorz…�- Journal of Chemical�…, 2024 - ACS Publications
… as a PyMol plugin that requires no programming skills. This GUI enables users to select a
molecule … to load the molecule in PyMol, open the C3 plugin, select the molecule from the drop-…

[HTML][HTML] MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design

M Thomas, NM O'Boyle, A Bender…�- Journal of Cheminformatics, 2024 - Springer
… is an open-source platform to facilitate generative molecular … , select and visualise 2D
molecular graphs, assess clusters … PyMol [66] is installed, PyMol will be loaded and selected …

MzDOCK: A free ready‐to‐use GUI‐based pipeline for molecular docking simulations

M Kabier, N Gambacorta, D Trisciuzzi…�- Journal of�…, 2024 - Wiley Online Library
Pymol 41 —It is a molecular visualization tool, used to generate protein–ligand complex as
well as to analyze molecular … It is an open source cheminformatics and machine learning tool, …

[PDF][PDF] Visualisation of tunnels in ChannelsDB using Mol

D VELK� - is.muni.cz
… need to replace the deprecated LiteMol tool previously used in ChannelsDB. This thesis
develops a specialized extension for the Mol* visualization tool to implement the visualization of …

pyMBE: the Python-based Molecule Builder for ESPResSo

D Beyer, PB Torres, SP Pineda…�- arXiv preprint arXiv�…, 2024 - arxiv.org
We present the Python-based Molecule Builder for ESPResSo (pyMBE), an open source
software designed to build coarse-grained models of polyelectrolytes, peptides and globular …

[HTML][HTML] MolDy: Molecular dynamics simulation made easy

MI Khan, S Pathania, MW Al-Rabia…�- …, 2024 - academic.oup.com
Results We have developed an end-to-end interactive MD simulation application, MolDy for
Gromacs. This front-end application provides a customizable user interface integrated with …

Advances in Structural Bioinformatics

J Israr, S Alam, S Siddiqui, S Misra, I Singh…�- Advances in�…, 2024 - Springer
molecular visualization system, PyMOL, uses open source technology and his proprietary
expertise. PyMOL … past three decades of progress in molecular graphics, especially in the area …