Search Results for "ir spectra viewer"
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Showing 17 open source projects for "ir spectra viewer"
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Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other... -
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CPSeis is the open-source version of ConocoPhillips' former seismic processing system. Uses Fortran 90 and C/C++ layers for I/O. The new system was designed using an MPI-parallel model and works well on Linux clusters or on individual workstations.
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lms2fits
Dual-channel spectroscopic receiver using LimeSDR-USB
`lms2fits` is a dual-channel spectroscopic receiver for radio astronomy that employs theLimeSDR's LimeSDR-USB dual-channel transceiver, which in turn employs Lime Microsystems' LMS7002M transceiver chip. These systems allow a frequency-agile (<30 MHz to 3.8 GHz) receiver providing Stokes parameters in dynamic spectra of up to 60 MHz analog bandwidth streamed to a FITS file with three-axis primary table. It runs on linux under .Net. -
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KryoMol
A molecular viewer for quantum chemistry files
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MultiSpecUVVis
Multi-spectra handling and presentation
Read and handle (Baseline correction, Peakpeaking, Integration, Line fitting) multiple UV-Vis, IR, RAMAN spectra. The project can open .SPE PRINCETON type format and various txt formats however this will be updated in the future. You can make very nice figures 2D and 3D ready for publication. -
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MoCalc2012
GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4
MoCalc2012 is a simple, efficient Graphical User Interface for MOPAC, DFTB+, GAMESS(US), Firefly, NWChem, ORCA and PSI4. -
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GaussSum parses the output of ADF, GAMESS, GAMESS-UK, and Gaussian to extract useful information: progress of geometry optimisation, UV/IR/Raman spectra, MO contributions and more.
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PyVCI
Vibrational configuration interaction code for simulating IR spectra
The PyVCI program package is a general purpose open-source code for simulating accurate molecular spectra, based upon force field expansions of the potential energy surface in normal mode coordinates. It includes harmonic normal coordinate analysis and vibrational configuration interaction (VCI) algorithms, implemented primarily in Python for accessibility but with time-consuming routines written in C. Coriolis coupling terms may be optionally included in the vibrational... -
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PyVib2 is a program for analyzing vibrational motion and vibrational spectra. It is an open source "all-in-one" solution for scientists working in the field of vibrational spectroscopy (Raman and IR) and vibrational optical activity (ROA and VCD).
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Magneto
Magneto is a wxWidgets based viewer for NMR spectra.
Magneto is a viewer for NMR spectra which is intended to be convenient for applied NMR users such as organic chemists. All free software for viewing NMR spectra I found on the internet did not satisfy, therefore I decided to spend some time writing an open source viewer. The program is based on wxWidgets, an excellent open source framework which allows to design truly cross platform applications. -
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MRmap
Parametric MRI: T1 mapping, T2 mapping, T2* mapping
A flexible tool for medical research in magnetic resonance imaging (MRI) to generate parametric images (maps) from multiple types of pulse sequences (IR-prepared, Look-Locker, and MOLLI T1 mapping; single- and multi-echo T2/ T2* mapping). -
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Xi Spectrum Viewer
Mass Spectrum Viewer Tool
To overcome current limitations in published MS data accessibility, we introduce a browser-based spectrum viewer that aims to allow exploration of alternative interpretations for MS spectra and additionally: can be operated by non-specialists, is open source, can be integrated into other software, gives appropriate publication-quality output. Spectrum Viewer is implemented totally on the client side using XHTML for menus and dialogs, SVG for spectrum and peptide display, and Javascript to drive functionality. ... -
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Adjusting PKL-Files derived from MS-experiments. The development of the project has been MOVED TO https://github.com/binfalse/adjustpkl
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Peak Studio is a java based GUI for analyzing ARISA data.Peak Studio reads in fsa files, allows the user to view spectra, & determine peak lengths. The software also utilizes Forrester (http://sourceforge.net/projects/forester-atv/) as a tree viewer.
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pyVib is a Python-based molecular graphics visualizer. It allows visualizing vibrational modes (from latest gaussian fchk files), the related IR/VCD/Raman/ROA spectra, the GCM's (group coupling matrices) and ACP's (atomic contribution patterns).
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This program conects to Lirc, process ir-commands for controling tvtime, volume and other programs. Also add icon in SysTray with popup menu which consists of HDD temperature, and NVidia core temperature, S.M.A.R.T attribute viewer, internet connector.
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This program conects to Lirc, process ir-commands for controling tvtime, volume and other programs. Also add icon in SysTray with popup menu which consists of HDD temperature, and NVidia core temperature, S.M.A.R.T attribute viewer, internet connector.
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