Video Experimental Relacionado

Updated: Feb 13, 2026

3D Printing of Preclinical X-ray Computed Tomographic Data Sets

3D Printing of Preclinical X-ray Computed Tomographic Data Sets

Published on: March 22, 2013

TheorChem2Blender: una herramienta de código abierto para convertir resultados de química computacional en objetos 3D

Emmanuel Echeverri-Jimenez¹

¹Chemistry Department, University of Puerto Rico in Cayey, Cayey, Puerto Rico, United States. emmanuel.echeverri@upr.edu.

Journal of cheminformatics

|February 12, 2026

Resumen

TheorChem2Blender es una nueva herramienta de código abierto que convierte archivos de química computacional en modelos 3D para animación y visualización. Simplifica el proceso para químicos y artistas 3D, permitiendo una integración más fácil de datos científicos en medios digitales.

Área de la Ciencia:

Química computacional
Modelado 3D
Visualización científica

Sus antecedentes:

La superación de la brecha entre la química computacional y el modelado 3D requiere experiencia especializada.
Las herramientas existentes a menudo carecen de la flexibilidad para atender eficazmente a ambos dominios.

Objetivo del estudio:

Desarrollar una herramienta accesible, TheorChem2Blender, que conecte la química computacional y el modelado 3D.
Permitir a los usuarios con una mínima experiencia técnica crear archivos 3D a partir de datos químicos.
Facilitar la visualización y animación de compuestos químicos para diversas aplicaciones.

Principales métodos:

Desarrollado en Python, compatible con formatos de entrada química comunes (com, xyz, mol2).
Permite la conversión a múltiples formatos de archivo 3D (glb, fbx, obj, dae, stl).
Presenta opciones de personalización para átomos, enlaces y estilos de representación; incluye capacidades de animación.

Principales resultados:

TheorChem2Blender convierte con éxito archivos de entrada química en formatos 3D versátiles.
Es la primera herramienta de código abierto que convierte directamente archivos xyz y com en animaciones 3D manipulables fbx y glb.
Los comentarios de los usuarios de las pruebas piloto informaron sobre la GUI y la compatibilidad multiplataforma.

Conclusiones:

TheorChem2Blender proporciona un puente accesible entre la química computacional y el modelado 3D.
Sus características únicas facilitan la integración de simulaciones in silico en flujos de trabajo basados en la web y de realidad extendida.
La herramienta está disponible gratuitamente con un soporte integral para una amplia adopción por parte de científicos y artistas.

Palabras clave:

modelado 3D impresión 3D animación Blender química computacional realidad extendida Gaussian dinámica molecular visualización glTF

Más Videos Relacionados

Tracking and Quantifying Developmental Processes in C. elegans Using Open-source Tools

Tracking and Quantifying Developmental Processes in C. elegans Using Open-source Tools

Published on: December 16, 2015

3D Modeling of Dendritic Spines with Synaptic Plasticity

3D Modeling of Dendritic Spines with Synaptic Plasticity

Published on: May 18, 2020

Videos de Conceptos Relacionados

Ready Mixed Concrete

Ready Mixed Concrete

Ready-mixed concrete, also known as pre-mixed concrete, is prepared in a centralized plant and then transported in trucks to construction sites where it is ready for placement. This type of concrete is categorized into central-mixed, truck-mixed (or transit-mixed), and shrink-mixed. Central-mixed concrete is entirely prepared at a plant and moved to the site in agitator trucks that rotate at a speed of 2 to 6 rpm. Truck-mixed concrete, on the other hand, has the ingredients batched at the plant...

Cardiac Output II: Effect of Stroke Volume on Cardiac Output

Cardiac Output II: Effect of Stroke Volume on Cardiac Output

Cardiac output (CO), the amount of blood the heart pumps per minute, is a parameter in cardiovascular physiology determined by stroke volume and heart rate. Stroke volume, the amount of blood pushed from one of the ventricles per heartbeat, is influenced by preload, afterload, and contractility.
Preload
Preload refers to the initial elongation of the cardiac myocytes before contraction and is related to the volume of blood filling the heart at the end of diastole, or end-diastolic volume. The...

Chemistry of the Cell

Chemistry of the Cell

The cell is chemically composed of water, organic molecules and inorganic ions.
Water
The polarity of the water molecule and its resulting hydrogen bonding makes water a unique substance with special properties that are intimately tied to the processes of life. Life originally evolved in an aqueous environment, and most of an organism’s cellular chemistry and metabolism occur inside the aqueous contents of the cell’s cytoplasm. Special properties of water are its high heat capacity...

Cardiac Output I:Effect of Heart Rate on Cardiac Output

Cardiac Output I:Effect of Heart Rate on Cardiac Output

Cardiac Output
Cardiac output (CO) refers to the total amount of blood ejected by one of the ventricles in liters per minute (L/min). In a resting adult, CO ranges from 5 to 6 L/min, adjusting according to the body's metabolic requirements.
Effect of Heart Rate on Cardiac Output
Cardiac output adapts to metabolic demands during stress, physical activity, or illness. The autonomic nervous system regulates heart rate via the sinoatrial node. The parasympathetic nervous system decreases heart...

Exercise and Cardiac Output

Exercise and Cardiac Output

Regular physical activity is essential for maintaining cardiovascular health, with aerobic exercises being particularly effective. According to the American Heart Association, 150 minutes of moderate to intense aerobic exercise per week is recommended for a healthy heart. Aerobic activities may include brisk walking, running, bicycling, cross-country skiing, and swimming, ideally performed three to five times per week.
Sustained exercise increases the muscles' oxygen demand, which can be...

Imbalances in Cardiac Output

Imbalances in Cardiac Output

The heart's primary function is to pump blood throughout the body, maintaining a balance between blood sent out (cardiac output) and blood returning (venous return). If this balance is disrupted, it can result in congestive heart failure (CHF), a severe condition where the heart becomes an inefficient pump, leading to inadequate blood circulation.
CHF can occur due to the failure of either side of the heart. Left-side failure leads to pulmonary congestion—the right side continues to send...