Publication: Brico-moléculas: preparación de modelos moleculares a partir de la fórmula dibujada
Authors
Herráez, Angel
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Publisher
Universidad de Murcia, Servicio de Publicaciones
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DOI
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info:eu-repo/semantics/article
Description
Abstract
La percepción de las moléculas como entidades tridimensionales es una destreza esencial en química y biología. Muchas herramientas informáticas adecuadas dependen de la disponibilidad de archivos de coordenadas. Es, pues, interesante disponer de una herramienta que permita a cualquiera construir a voluntad un modelo para cualquier molécula. La aplicación presentada aquí, "Brico-moléculas", se ejecuta en un navegador web sin software especial y puede usarse tanto localmente (p. ej. en CD-ROM) como en internet. La interfaz integra un panel para dibujar la estructura química, un mecanismo para generar una conformación optimizada y otro panel interactivo donde se muestra ésta en tres dimensiones. Además, la optimización en tiempo real de la estructura plana hacia una conformación tridimensional añade un gran valor pedagógico, pues el usuario ve cómo los enlaces se estiran y agitan hasta que el modelo alcanza una estereoquímica correcta. El modelo generado se puede grabar o enviar al profesor para su evaluación.
Perception of molecules as three-dimensional entities is an essential ability in Chemistry and Biology. Many suitable computerized tools depend on the availability of coordinate files. It is, hence, interesting to have a tool that allows anyone to build a model at will for any desired molecule. The application here presented, "Brico-moléculas" (or Do-It-Yourself Molecules), runs within a web browser without any special software and may be used both locally (e.g. from a CD-ROM) and via the internet. The interface integrates a panel for sketching the chemical structure, a mechanism for generating an optimised conformation and another interactive panel where the latter is displayed three-dimensionally. In addition, optimisation in real time of the initially flat structure towards a three-dimensional conformation adds a great pedagogical value, since the user sees the bonds stretch and wiggle until the model reaches a correct stereochemistry. The generated model may be saved or sent to the instructor for assessment
Perception of molecules as three-dimensional entities is an essential ability in Chemistry and Biology. Many suitable computerized tools depend on the availability of coordinate files. It is, hence, interesting to have a tool that allows anyone to build a model at will for any desired molecule. The application here presented, "Brico-moléculas" (or Do-It-Yourself Molecules), runs within a web browser without any special software and may be used both locally (e.g. from a CD-ROM) and via the internet. The interface integrates a panel for sketching the chemical structure, a mechanism for generating an optimised conformation and another interactive panel where the latter is displayed three-dimensionally. In addition, optimisation in real time of the initially flat structure towards a three-dimensional conformation adds a great pedagogical value, since the user sees the bonds stretch and wiggle until the model reaches a correct stereochemistry. The generated model may be saved or sent to the instructor for assessment
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