ArticleJournal of chemical information and modeling2025
PACKMOL-GUI: An All-In-One VMD Interface for Efficient Molecular Packing.
Article in Journal of chemical information and modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
3 citing papers in PubMed.
- Ultrasound-assisted deep eutectic solvent extraction of polyphenols from Cornus officinalis: Optimization, mechanisms, and bioactivity.Ultrasonics sonochemistry · 2026Article
- Mixed-Solvent MD suite: modular tools for building and analyzing mixed-solvent molecular dynamics systems.Journal of computer-aided molecular design · 2026Article
- Reaction Pathway Analysis of Methane and Propylene Cracking: A Reactive Force Field Simulation Approach.Materials (Basel, Switzerland) · 2025Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
PACKMOL is a widely utilized molecular modeling tool within the computational chemistry community. However, its tremendous advantages have been impeded by the longstanding lack of a robust open-source graphical user interface (GUI) that integrates parameter settings with the visualization of molecular and geometric constraints. To address this limitation, we have developed PACKMOL-GUI, a VMD plugin that leverages the dynamic extensibility of the Tcl/Tk toolkit. This GUI enables the configuration of all PACKMOL parameters through an intuitive user panel, while also facilitating the visualization of molecular structures and geometric constraints, including cubes, boxes, and spheres, among others via the VMD software. The seamless interaction between the VMD and PACKMOL provides an intuitive and efficient all-in-one platform for the packing of complex molecular systems.
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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.