Search Results for "uv-vis spectroscopy"

... quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing (VRML export).

... of methods for computational spectroscopy.

Spectral-SpecPro helps with the manipulation of optical spectroscopy data. Spectral takes files produced by Jasco instruments (uv-vis absorbance, fluorescence, circular dichroism readings as a function of wavelength, temperature, or time) and facilitates basic operations such as unit conversion (CD spectra), conversion into the format taken by CDPro (estimation of secondary structure; CD spectra), scatter correction (absorbance spectra), smoothing, re-sampling of the x-axis, and generic...

Como técnico en informática en un Instituto de Física con el tiempo surgió la necesidad de tener que crear distintas piezas de software para ir resolviendo situaciones diarias. En este proyecto iré agregando pequeños programas en Python 2.7 que voy escribiendo para dar soluciones a algunos de los problemas que surgen día a día en el laboratorio, como ser comunicación con algunos dispositivos o rutinas para ordenar o modificar datos de forma recursiva algunos cálculos matemáticos, creación...

This project supports ASTM E13.15 "Analytical Data Magement" in its work defining AnIML, an XML standard for representing, managing and interchanging analytical chemistry and biology data.