ArticleJournal of molecular modeling2020
PyVibMS: a PyMOL plugin for visualizing vibrations in molecules and solids.
Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Resonance Raman Spectroscopy and Density Functional Theory Reveal the Hemin Release Mechanism of Fish and Mammalian Hemoglobin.Journal of agricultural and food chemistry · 2026Article
- Neutron Diffraction and Spectroscopic Studies of Intramolecular Tetrel Bonds in Three Fluorinated Zinc Complexes: Significant Redshift in the spJournal of the American Chemical Society · 2025Article
- Python tools for structural tasks in chemistry.Molecular diversity · 2025Review
- Spectroscopic Implications for [N-X-N]Inorganic chemistry · 2025Article
- Low-frequency Raman spectra of amyloid fibrils.The Journal of chemical physics · 2025Article
- Target analysis and identification of curcumin against vascular calcification.Scientific reports · 2024Article
- A-Band Absorption Spectrum of the ClSO Radical: Electronic Structure of the Sulfinyl Group.The journal of physical chemistry. A · 2023Article
- Identification of novel inhibitors from Urtica spp against TNBC targeting JAK2 receptor for breast cancer therapy.Medical oncology (Northwood, London, England) · 2023Article
- Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.The EMBO journal · 2022Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
Visualizing vibrational motions calculated with different ab initio packages requires dedicated post-processing tools. Here, we present a PyMOL plugin called PyVibMS for visualizing the vibrational motions for both molecular and solid systems calculated by mainstream quantum chemical computer programs including Gaussian, Q-Chem, VASP, and CRYSTAL. Benefiting from the continuing development of the PyMOL platform, PyVibMS provides powerful functionalities and user-friendly interface. PyVibMS was written in Python and its open-source nature makes it flexible and sustainable. As an example, the motions of the Konkoli-Cremer local vibrational modes are shown in this work for the first time. PyVibMS is freely available at https://github.com/smutao/PyVibMS . Graphical abstract In this work, a PyMOL plugin named PyVibMS is developed to visualize molecular and lattice vibrations.
Indexed as
Identifiers
32986131What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.