Gourt > Science > Chemistry > Nuclear Magnetic Resonance > Software (6)
Computer software (or simply software) is the programs and procedures that enable a computer to perform a specific task, as opposed to the physical components of the system (hardware). This includes application software such as a word processor, which enables a user to perform a task, and system software such as an operating system, which enables other software to run properly, by interfacing with hardware and with other software.
The term "software" was first used in this sense by John W. Tukey in 1957. In computer science and software engineering, computer software is all information processed by computer systems, programs and data. The concept of reading different sequences of instructions into the memory of a device to control computations was invented by Charles Babbage as part of his difference engine. The theory that is the basis for most modern software was first proposed by Alan Turing in his 1935 essay Computable numbers with an application to the Entscheidungsproblem. Hally, Mike (2005:79). Electronic brains/Stories from the dawn of the computer age. British Broadcasting Corporation and Granta Books, London. ISBN 1-86-207663-4.
Relationship to hardware
Computer software is so called in contrast to computer hardware, which encompasses the physical interconnections and devices required to store and execute (or run) the software. In computers, software is loaded into RAM and executed in the central processing unit. At the lowest level, software consists of a machine language specific to an individual processor. A machine language consists of groups of binary values signifying processor instructions (object code), which change the state of the computer from its preceding state. Software is an ordered sequence of instructions for changing the state of the computer hardware in a particular sequence. It is generally written in high-level programming languages that are easier and more efficient for humans to use (closer to natural language) than machine language. High-level languages are compiled or interpreted into machine language object code. Software may also be written in an assembly language, essentially, a mnemonic representation of a machine language using a natural language alphabet. Assembly language must be assembled into object code via an assembler. More on [ Computer software ]
HP's software doesn't care about black people http://bit.ly/58shSs
b0dylanguage (Chris Glenn) Tue, 22 Dec 2009 02:48:55 -0000
HP's software doesn't care about black people http://bit.ly/58shSs
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sftweetifier (SFBay Tweetifier) Tue, 22 Dec 2009 02:48:38 -0000
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barnumis (Barnuel Mistell) Tue, 22 Dec 2009 02:48:31 -0000
Biometrics: Visa liberalisation becomes reality | Biometric Security Software http://bit.ly/8WToJ4
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barnumis (Barnuel Mistell) Tue, 22 Dec 2009 02:48:30 -0000
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Love blog comments, but where do you draw the line? Is "Thankyou, love your software" from Name:"{Keyword}" URL:"{Website}" valuable?
brenthodgson (Brent Hodgson) Tue, 22 Dec 2009 02:48:26 -0000
Love blog comments, but where do you draw the line? Is "Thankyou, love your software" from Name:"{Keyword}" URL:"{Website}" valuable?
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barnumis (Barnuel Mistell) Tue, 22 Dec 2009 02:48:25 -0000
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Ad Bax Group and NIH - TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
Meta Description: [ Software ]
Advanced Chemistry Development - Provides a wide set of desktop and on-line software for chemists and educators: NMR, IR, UV, MS, drawing and modelling, chromatography, naming, comprehensive databases and predictions.
Meta Description: [ Advanced Chemistry Development Inc. provides a wide set of desktop and on-line software for chemists and educators: NMR, IR, UV, Mass Spectroscopy, Drawing and Modelling, Chromatography, Naming, Physico-Chemical Properties Calculation, comprehensive databases and predictions. ]
Babel - A Molecular Structure Information Interchange Hub - A program designed to interconvert a number of file formats currently used in molecular modeling.
Chemical shift (J) to Dihedral angle converter - This is a web-based program that converts the chemical shift from NMR spectra to the dihedral (torsional) angle to assist in molecular modelling which uses the Karplus equations to perform the calculations.
Meta Description: [ A JSP form to calculate the vicinal dihedral angle from the H-C-C-H coupling constant (J) ]
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Compilation of Educational NMR Software - Version 1.6.2beta, compiled and gathered by Peter Lundberg.
Dmfit and EditNMR Programs - The Dmfit programs enables fitting of solid state (and liquid) NMR spectra, including 1D and 2D datasets. Edit NMR program : file Viewer for NMR files.
GAMMA - C++ library for simulation of Magnetic Resonance experiments.
Meta Description: [ GAMMA: General Approach to Magnetic resonance Mathematical Analysis., GAMMA: General Approach to Magnetic resonance Mathematical Analysis. ]
HMMER - Sequence analysis using profile hidden Markov models. Useul for Proteins.
IBS: LRMN Software Developments - Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
Meta Description: [ Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor ]
IUNMR Software - Software developed for NMR at IU
Mathcad - Documents for Teaching NMR
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Model - Vizualization of molecules given in some common file formats (includes a conversion option).
NMR pipe - A very easy to use NMR data processing software package.
Meta Description: [ NMRPipe ]
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NMR related Software Available - From UCSF, nice list, good selection.
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NMR Software list - A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
Meta Description: [ Lernen soll auch Spass machen/ Learning with Fun ]
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NMR Tutorial - A free downloadable nmr tutorial. Software contains proton and C-13 shifts for over 100 compounds in database with room for notes and user-interactive 3D structures.
Quantitative NMR - A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR.
Meta Description: [ qNMR quantitative NMR ]
Roland Stenutz's Homepage - A few nice Karplus and Pachler calculators. Downloadable
Meta Description: [ Institutionen för kemi, SLU
]
Software by Klaus Eichele - Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
Software packages developed at the CMRR - Stimulate - multifunctional image analysis tool, PhysioFix - adjust for respiration and cardio effects, PhysioFix for Matlab, Cluster_prob - clustered pixel probability, Sarcalc - energy used by your pulse sequence, MTM - Multi-Taper Methods for signal/noise analysis, FAST MAP - magnet shimming tool, NMR Kitchen - software based on product operator calculation
SPSCAN - SPSCAN supports semi-automatic assignment of NMR spectra of biological macromolecules. The program is written in C++ for UNIX computers with X-Window interface.
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Viewit Cookbook - Viewit is a NMR viewing and NMR date processing software package with many capabilities. This is the on-line software manual. with many very simple and elegant solution to processing problems.
VINCE - A Program for Displaying Protein NOE Data
Wuthrich group NMR software - A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY
Meta Description: [ ETH Zuerich ]
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