software

Aplicaciones para el procesamiento de espectros de RMN (Nuclear magnetic Resonance)

He aqui dos aplicaciones indispensables en el tratamiento de los datos proveidos por los equipos de resonancia magnética nuclear, ambos paquetes de software son ideales para profesores y estudiantes (de último año de pregrado y de postgrado) que realicen investigación en donde requieran identificar los compuestos sintetizados o extraidos mediante RMN.

En lo personal, recomiendo Mestrenova por su intuitiva interfaz, facilidad de uso, y por todas las funcionalidades incluidas.

Mestrenova
9.0.1.13254 para PC y
Mestrenova 10.0.1-14719 para Mac OS X



Descripción original (en inglés):

Mestrenova software suite, is a multiplatform software tool designed for vendor independent NMR equipments (Bruker, Varian, JEOL, etc) NMR data processing and analysis. The software is ideal both for the expert user requiring advanced functionality and for organic or synthetic chemists focused on routine processing with maximum productivity. Also, is a PowerPoint-like analytical chemistry software suite designed as a container for Mestrelab's NMR & MS plugins. Forget about data format: All major NMR and MS formats are supported automatically. Minimize the learning curve and maximize adoption. Enjoy a wealth of powerful but intuitive processing and analysis tools. Build reports as you work on data, no need for third party applications. Standardized to a single environment for the organic, medicinal and analytical chemist. Mestrenova is capable to interpret many NMR experiments like NOESY, COSY, TOCSY, HMBC, HSQC, DEPT angular, 1H-13C, 1H-1H, 13C-13C coupling, and more.



Descargar Mestrenova 9 para pc (150 Mb)


Alternativo

Descargar Mestrenova 10 para Mac OS X (175 Mb)




ACD / Labs ACD /NMR Processor Academic edition 12.0 (versión académica, uso personal)


ACD Labs es la suite no propietaria preferida por excelencia para el procesamiento de espectros RMN en nuestra facultad por los Químicos Orgánicos e investigadores, dada su interfaz intuitiva y comandos fáciles de identificar, permitiendo procesar espectros uni como bidimensionales (COSY, TOCSY, HSQC, HMBC, HMQC, DEPT, APT).


Descripción (en inglés):  

ACD/NMR Processor Academic Edition has basic and advanced functions for processing 1D and 2D NMR data from any instrument quickly and efficiently. Use ACD/NMR Processor at the instrument, or away from the lab, to carry out basic spectral manipulations, attach chemical structures and assign correlations, handle spectral series, add or subtract spectra, and much more. ACD/NMR Processor Academic Edition includes ACD/ChemSketch Freeware and all of the same processing features of ACD/NMR Processor.

Features
  • Provides tools for basic spectral manipulations such as Fourier Transform, weighting functions, manual and automated phase correction, baseline correction, and calibration
  • Supports import of FID and FT data from all major spectrometer vendor formats including Bruker, Varian, and JEOL (see the full list below)
  • Attach structures to spectra and easily assign correlations by clicking and dragging from atom to spectral peak
  • Handle spectral series, synchronize spectra, and add or subtract two spectra
  • Macro capabilities including templates and macro organizer for completely automated data processing
Benefits
  • Process NMR data and manipulate spectra remote from the instrument
  • Obtain clear, concise, and consistent reports of NMR data for publication/reporting
  • Reduce the burden of 2D NMR verification and evaluation

Full List of Features

  • ACD/NMR Processor includes 1D and 2D NMR processing capabilities and ACD/ChemSketch
  • Automatically obtain summary information when importing complex vendor formats using multiple directories
  • Preview spectra for import/export
  • Full audit trail feature (History) tracks all applied processing commands
  • Macro capabilities including templates and macro organizer for completely automated data processing
  • Carry out basic spectral manipulations such as Fourier Transform, weighting functions, manual and automated phase correction, baseline correction, and calibration
  • Apply manual and automated peak picking and integration
  • Data can be displayed as intensity or contour plots
  • Apply Magnitude spectrum, Power spectrum, and Symmetrization commands
  • Suppress the diagonal in homonuclear experiments
  • Merge multiplets
  • Apply Transpose spectrum and Reverse spectrum commands
  • Apply color-coded gridlines
  • Peak picking gridlines can be transferred from one spectrum to another
  • Remove t1 noise with differential scaling, or edit the spectrum automatically or manually
  • View individual slices and 3D projections; simultaneously view and manipulate the spectrum in 3D
  • Save any cross-section (sum of cross-sections) as a 1D spectrum
  • Attach 1D spectra to the 2D spectrum
  • Attach a chemical structure and additional data to the spectrum
  • Annotate signals and spectral regions
  • Assign diagonal and cross-peaks to any atom or portion of a chemical structure manually or automatically
  • Create a 2D spectrum from a set of chemical shifts and couplings
  • Set the display mode for each dimension independently (view F1 or F2 in phase-sensitive, magnitude, or power mode)
  • View multiple spectra in Tile or Replace modes
  • Synchronize axes in multiple window display
  • Cut and paste into other applications with high resolution
  • Add and subtract two spectra
  • Print spectra and create reports with ACD/ChemSketch
Descargar ACD Labs Academic Version 12.0 (85,2 Mb):

Notas finales:

Sistemas operativos soportados para todas las aplicaciones:

Windows 2000 / Windows XP (SP1-SP3)/ Windows Vista (SP1, SP2)/ Windows 7 y 7 SP1 (todas las ediciones desde Starter a Enterprise) / Linux (empleando el emulador Wine)

Para Windows 7, 8 y 8.1 y Vista, emplear la compatibilidad con Windows XP SP2/SP3, también en Windows 7/8/8.1 se puede hacer uso de Windows virtual PC con la versión incorporada de Windows XP que traen Windows 7 professional, ultimate y enterprise en caso de incompatibilidad o Windows 8/8.1 cualquier versión.

5 comentarios:

  1. me gusta trabajar con mestrenova pero siempre he tenido el problema de no tener licencia, gracias por el portable que tienes aquí.
    un abrazo desde méxico!!

    ResponderEliminar
  2. El blog está genial! ¿Podrías resubir el programa MestReNova por favor? El enlace está caído.
    Gracias!

    ResponderEliminar
  3. muy buen aporte... podrías resubir el programa? el enlace está caído
    gracias

    ResponderEliminar
  4. hay forma de que consiga el ACD/espectrus full?

    ResponderEliminar

Deja tu opinión, así me doy cuenta que aprecias mis aportes, para asi ofrecer mejoies contenidos.

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