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Molecular Workbench 2.0
Offer interactive, visual simulation that have been widely used to teach science more>> The Molecular Workbench (MW) software offers interactive, visual simulations that have been widely used to teach science (watch a movie about it). As a free, open-source and extensible modeling platform, it provides not only a powerful environment for creating interactive simulations (including molecular simulations, mechanical simulations and discrete-element simulations), but also an easy-to-use authoring tool for building user interfaces and writing guided activities. In addition, it is equipped with a report and assessment system for collecting data and measuring learning with models and simulations. All these functionalities are seamlessly integrated under a simple user interface, which makes the sum of many difficult tasks orders of magnitude easier than they used to be for educators. For more information, see Molecular Dynamics for Everyone. You can also find some existing activities at the Molecular Literacy Database.<<less
Download (5.36MB)
Added: 2008-06-20 License: Freeware Price: Free
731 downloads
Other version of Molecular Workbench
Molecular Workbench (MW) is a piece of free, open-source modeling software specifically designed for use in educationLicense:Freeware
Molecular Weight Solver 1.0
dilutions, conversions, solution problems, radioactive decay, and more equations more>>
Complementary molecular wieght calculator. Solution Solver 2.0 is a program designed for chemists, biologists and other scientific professionals. Its purpose is to make your routine lab calculations quick and reliable.
Spend your time accomplishing your primary work and let Solution Solver assist you. Solution Solver can perform dilution equations, conversions, solution problems, radioactive decay equations, and much more!
Features include: 10 master calculators with up to 7 sub calculators per master, access to internet scientific databases for data look up purposes, adjustable views and significant digit selections,and more.
<<lessSpend your time accomplishing your primary work and let Solution Solver assist you. Solution Solver can perform dilution equations, conversions, solution problems, radioactive decay equations, and much more!
Features include: 10 master calculators with up to 7 sub calculators per master, access to internet scientific databases for data look up purposes, adjustable views and significant digit selections,and more.
Download (0.95MB)
Added: 2004-10-08 License: Freeware Price:
1943 downloads
Other version of Molecular Weight Solver
Complementary molecular wieght calculator.Spend your time accomplishing your primary work and let Solution Solver assist you. SolutionPrice: $0.00
License:Freeware
License:Freeware
Molecular Weight Calculator 6.12
Calculates molecular weights, percent compositions, and more. more>> Used to determine molecular1weights and percent compositions of molecules. It recognizes user-definable abbreviations,1isotopes, hydrates, and parentheses. The program also includes a formula finder1features, mole/mass calculator, and unknown percent composition solver. The1mwt4_3s.exe file includes MSVBVM50.Dll and an automated install procedure. See the home page for a smaller .Zip file without the install program.<<less
Download (2.1M)
Added: 2008-11-03 License: Freeware Price:
394 downloads
Other version of Molecular Weight Calculator
Molecular Weight Calculator is chemical disrupted. It is old but good. This software will calculate the molecular weight ofLicense:Freeware
Molecular Weight Calculator brings you a small but easy to use program for the calculation of molecular weight from the molecularLicense:Freeware
Biomolecular Exploration 1.0
Gives scientists and students interactive access to the molecular world of Bioproteins. Biomolecular Explorer lets you explore various molecules that are saved as PDB (Protein Data Bank) files in an i more>>
Gives scientists and students interactive access to the molecular world of Bioproteins. Biomolecular Explorer lets you explore various molecules that are saved as PDB (Protein Data Bank) files in an interactive realtime 3D environment. You can fly through molecules and scan/view different interactions that take place at the intramolecular level.
<<less Download (2530K)
Added: 2008-09-07 License: Freeware Price:
411 downloads
VMD - Visual Molecular Dynamics 1.8.4
OpenGL-based molecular visualization more>> VMD is a molecular visualization program that provides real-time interactive manipulation of molecules in 3D. VMD uses hardware accelerated OpenGL 3D rendering, and runs on Windows, MacOS X, and several versions of Unix. VMD is available at no cost, and the source code is available from the VMD web site.<<less
Download (list)
Added: 2008-11-06 License: Freeware Price:
413 downloads
Calculation of Average Molecular Weight of Composition 1.0.1
Calculation of Average Molecular Weight of Composition is launched with the ability to calculate: molecular mass for each component of a multi composition; average molecular mass of the composition; mass percentage for each component in the composition; etc. more>>
Calculation of Average Molecular Weight of Composition 1.0.1 is launched with the ability to calculate: molecular mass for each component of a multi composition; average molecular mass of the composition; mass percentage for each component in the composition; weight of every component in a composition in feeding zone (Kg/h) and KMole per hour.
Download (12.2KB)
Added: 2007-12-20 License: Freeware Price:
downloads
Mole Calc 1.02
Mole Calc is a very easy to use Windows (95/98/NT) freeware which calculates molecular weight of all your chemicals. Simply enter the chemical formula (H2O for water for example) and Mole Calc calcula more>>
Mole Calc is a very easy to use Windows freeware which calculates molecular weight of all your chemicals. Simply enter the chemical formula (H2O for water for example) and Mole Calc calculates its molecular weight. Available in English and in French.
<<less Download (233K)
Added: 2001-03-09 License: Freeware Price: $0.00
3162 downloads
Other version of Mole Calc
David Defoort - Mole Calc is an application that calculates the molecular weight of all your chemicals. Mole Calc. Mole Calc is an application that calculatesLicense:Freeware
molsKetch 0.1 Beta
molsKetch is a tool for drawing schematic representations of molecules, better known as molecular structures. more>>
molsKetch is a tool for drawing schematic representations of molecules, better known as molecular structures. molsKetch target is making this drawing quick and painless.
Of course, in molsKetch your creation can also be exported afterwards in high quality in an number of vector and bitmap formats.
Main features:
- creating regular and consistent bonds easily with tools as a dynamic grid and magnetic atoms
- open, save and import in all formats supported by the OpenBabel(tm) library
- export to Scalable Vector Graphics (SVG) and a number of common used bitmap formats
- print and export your document to PDF
- reallign atoms automaticly
- intelligent addition/removal of hydrogen atoms
- realtime information about the molecule, like charge and weight
- built-in library for quick access to regulary used molecules and functional groups
<<lessOf course, in molsKetch your creation can also be exported afterwards in high quality in an number of vector and bitmap formats.
Main features:
- creating regular and consistent bonds easily with tools as a dynamic grid and magnetic atoms
- open, save and import in all formats supported by the OpenBabel(tm) library
- export to Scalable Vector Graphics (SVG) and a number of common used bitmap formats
- print and export your document to PDF
- reallign atoms automaticly
- intelligent addition/removal of hydrogen atoms
- realtime information about the molecule, like charge and weight
- built-in library for quick access to regulary used molecules and functional groups
Download (4.29MB)
Added: 2007-03-22 License: GPL Price:
949 downloads
Other version of molsKetch
Harm van Eersel - A tool for drawing schematic representations of molecules, better known as molecular structures. molsKetch. A tool for drawing schematic representations ofLicense:GPL
Sulphite Calculator 3.00
Sulphite Calculator - calculates sulphite additions in wine. more>>
Sulphite Calculator can help the winemaker in calculating the correct amount of sulphite to add in order to achieve desired SO2 levels in wine.
With Sulphite Calculator, the winemaker can precisely define the sulphite source, sulphite form, and batch size. The software can then calculate the exact amount of sulphite required in order to obtain desired SO2 levels.
Main features:
- Calculates SO2 contributions for Potassium Metabisulphite, Sodium Metabisulphite, or Sodium Bisulphite.
- Calculates for any form of sulphite (powder, tablets, or solutions).
- Calculates for any percentage solution.
- Calculates for any tablet weight.
- Batch size can be specified in litres, American gallons, or Imperial gallons.
- Sulphite additions are calculated in ml, g, tsp, tbsp, oz, and tablet number (depending on sulphite form used).
- Sulphite additions can be calculated for either total free or molecular SO2 target levels.
- Default settings can be saved for greater ease of use (Windows version only).
- Supports international number formats.
<<lessWith Sulphite Calculator, the winemaker can precisely define the sulphite source, sulphite form, and batch size. The software can then calculate the exact amount of sulphite required in order to obtain desired SO2 levels.
Main features:
- Calculates SO2 contributions for Potassium Metabisulphite, Sodium Metabisulphite, or Sodium Bisulphite.
- Calculates for any form of sulphite (powder, tablets, or solutions).
- Calculates for any percentage solution.
- Calculates for any tablet weight.
- Batch size can be specified in litres, American gallons, or Imperial gallons.
- Sulphite additions are calculated in ml, g, tsp, tbsp, oz, and tablet number (depending on sulphite form used).
- Sulphite additions can be calculated for either total free or molecular SO2 target levels.
- Default settings can be saved for greater ease of use (Windows version only).
- Supports international number formats.
Download (308KB)
Added: 2005-01-12 License: Freeware Price:
1761 downloads
MacMolPlt 7.2.1
computational chemistry visualization more>> Despite the name, MacMolPlt is a cross-platform Chemistry visualization tool that can be used to build molecules with an integrated graphical model builder, create input files for the GAMESS computational chemistry program, and then visualize the results of computational chemistry runs. Features include a high-quality 3D display, animations of normal modes and reaction sequences and output to a variety of formats including high-quality images and QuickTime and Flash movies.
- Input using:
- MolPlt file format punched out by GAMESS
- by pasting in Cartesian coordinates from any GAMESS or Gaussian log file
- any GAMESS input, log or irc file
- Xmol style XYZ file
- MolDen format files
- Protein Data Bank (pdb) file
- Chemical Markup Language (CML) files
- Build graphically with an interactive molecule editor
- Build by hand using cartesian or Z-Matrix style internal coordinates
- 3D display of structure and Normal mode
- Animation of Normal modes.
- 3D real-time rotation and translation under mouse control
- Calculation of any Z-matrix parameter
- Visually measure/display distances, angles and dihedrals.
- Automated creation of Linear Least Motion (LLM) paths
- 2D and 3D calculation and display of:
- Molecular orbitals (AOs, MOs, or LMOs)
- Total Electron Density
- Density differences
- Molecular Electrostatic Potentials (MEPMaps)
- Basic input file generator for GAMESS
- OpenGL used for high-quality 3D rendering
- Support for molecular symmetry
- Generate symmetry dependant atoms
- Determine symmetry unique atoms
- Automatically determine the list of supported point groups for a set of coordinates.
- Rotate coordinates into the proper principle orientation
- Display symmetry operators for many point groups
- Publication quality output (color or black and white) via direct printing or Copy and Paste into another Application.
- Output in a variety of forms including Windows bitmap, JPEG, PNG, CML, XMol XYZ, MDL molfile, POV-Ray, Flash Movies and QuickTime movies.
Download (4.7M)
Added: 2008-10-23 License: Freeware Price:
386 downloads
RasMol 2.6
Rasmol is said to be the most popular 3D molecular graphics viewer in the world. more>> Rasmol is said to be the most popular 3D molecular graphics viewer in the world. It was written by Roger Sayle, with recent support from Glaxo Wellcome, and it is FREE. It is an excellent molecular modelling tool. It is particularly good at viewing and rotating protein molecules, although it also works perfectly with smaller molecules.<<less
Download (341KB)
Added: 2008-09-02 License: Freeware Price: Free
441 downloads
QMForge 2.1
QMForge is an advanced and handy program designed with an aim to properly analyze the results of quantum chemistry (DFT) calculations. more>>
QMForge 2.1 is an advanced and handy program designed with an aim to properly analyze the results of quantum chemistry (DFT) calculations. The following analyses are available: Mulliken Population Analysis (MPA). C-squared Population Analysis (SCPA). Overlap Population Analysis (OPA). Mayer's Bond Orders. Charge Decomposition Analysis (CDA). Fragment Analysis.
MPA, CSPA, and OPA require a user-defined set of fragments, and prints the percent contributions those fragments make towards each molecular orbital in the molecule. Mayer's bond orders calculates the bond orders between each pair of atoms in the molecule.
CDA and Fragment Analysis require three or more calculations (one for the entire molecule, and two fragment calculations), and provide information about the bonding interactions between fragments.
Requirements:
- Windows 2000/XP/2003 Server/Vista
Download (13MB)
Added: 2008-01-14 License: Freeware Price: $0.00
downloads
MOPlot 1.87
MOPlot is an advanced and comprehensible visualization program that is designed specifically for fast molecular orbitals plotting from the outputs of the Gaussian 03/98/94, Molcas, Gamess/US quantum chemical calculation packages. more>> <<less
Download (14MB)
Added: 2008-01-13 License: Freeware Price: $0.00
downloads
Calculator for Science Students 2.9
Calculator for Science Students is designed as a professional scientific calculator that can also calculate molecular mass. more>>
Calculator for Science Students 2.9 is designed as a professional scientific calculator that can also calculate molecular mass. From this main calculator many other calculators can be called, as well as converters, lists of reference data and a science glossary system.
Download (2.2MB)
Added: 2009-11-04 License: Freeware Price:
downloads
Other version of Calculator for Science Students
The system contains a scientific calculator that can also calculate molecular mass, and from this main calculator over 80 other calculators and science tools can be called. These include a trianglePrice: Notavailable
License:Freeware
License:Freeware
Price: Notavailable
License:Freeware
License:Freeware
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License:Freeware
Contain a scientific calculator that can also calculate molecular mass, and from this main calculator over 80 other calculators and science tools can be called. Include a measurement converterLicense:Freeware
ChemFileBrowser 0.2.8
ChemFileBrowser is a free program built to visualize and works with SDFile (MDL format) more>>
ChemFileBrowser is a free program built to visualize and works with SDFile (MDL format) used by chemists to exchange and store compounds and associated data.
Main features:
- navigate forward and backward through an SDF
- introduce SDI file (SDF File index) to map directly SDF File
- add and edit field name
- export selected compounds
- export SDF with selected fields
- rename structure with a field value
- export data as *.csv file
- copy to clipboard (compatible with IsisDraw, ChemDraw, ViewerPro and others)
- bookmark compound manager to create an SDFile from a selection
- split, merge SDF
- chemical descriptors : TPSA, Hydrogen Bond donor and acceptor number, molecular weight
- mathematical descriptors : Balaban, Randic, Wiener, Harary, Shultz index
<<lessMain features:
- navigate forward and backward through an SDF
- introduce SDI file (SDF File index) to map directly SDF File
- add and edit field name
- export selected compounds
- export SDF with selected fields
- rename structure with a field value
- export data as *.csv file
- copy to clipboard (compatible with IsisDraw, ChemDraw, ViewerPro and others)
- bookmark compound manager to create an SDFile from a selection
- split, merge SDF
- chemical descriptors : TPSA, Hydrogen Bond donor and acceptor number, molecular weight
- mathematical descriptors : Balaban, Randic, Wiener, Harary, Shultz index
Download (1.15MB)
Added: 2006-09-28 License: Freeware Price:
738 downloads
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