Software Listing: Atomic And Molecular Structure

CQZ2 Magic Worksheet Generator for Chemistry for Windows has a powerful Wizard to help you Create your own custom Worksheets - Units and chemical formulae - Gases - Aqueous solutions: - Colligative properties of solutions - Stoichiometry of chemical reactions: - Percent yield of reaction - Limiting reagents in stoichiometry - Thermochemistry: - Hess's Law - Born-Haber Cycle - Chemical kinetics - Gas phase equilibria - Le Châtelier's principle - Acid-base equilibria - Solubility equilibria - Redox reactions: - Galvanic cell - Electrolysis - Atomic and molecular structure: - Molecular geometry - Photoelectric effect - Nuclear reactions - Nomenclature of inorganic compounds - Isomerism - Organic reactions - Nomenclature of organic compounds - Easy and fast to use.

  • Platform: Win7 x32, Win7 x64, WinVista, WinVista x64, WinXP
  • QGAMESS
  • License: Freeware
  • Price: 0.00
  • Rating

QGAMESS is a queuing program for the popular molecule mechnanics program GAMESS, the General Atomic and Molecular Electronic Structure System. QGAMESS is a cross-platform replacement for GTK-Gamess.
QGAMESS License - GNU General Public License (GPL).

  • Platform: WinOther
  • Multiwfn
  • License: Freeware
  • Price: 0.00
  • Rating

Multiwfn is designed as an interactive program, prompts shown in each step clearly instructs users what need to do next, Multiwfn also never print obscure messages, hence there is no any barrier even for beginners. Besides, there are more than twenty practical examples in the manual, which would be very helpful for new users. No third-part plotting softwares are required: · A high-level graphical library DISLIN is invoked internally and automatically by Multiwfn for visualizing results, most of plotting parameters are adjustable by users in an interactive interface. Thus the procedure of wavefunction analysis is remarkably simplified, especially for studying distribution of real space function.

  • Publisher: sobereva
  • Date: 18-07-2012
  • Size: 2150 KB
  • Platform: WinOther
  • BTutor
  • License: Freeware
  • Price: 0.00
  • Rating

This computer tutorial program shows and explains structure of atoms and describes how bonds between atoms occur, as well as provides capabilities to access information about chemical elements such as atomic weight via an interactive periodic table..

  • Platform: WinOther
  • wordom
  • License: Freeware
  • Price: 0.00
  • Rating

Wordom is a (simple) command line utility conceived to spare the user some time in manipulating, converting and analyzing molecular structure and molecular simulations files. Due to its simplicity, it is easy to add your own analysis module..

  • Platform: WinOther

SDFCherry is a command-line program that searches for textual matches in molecular structure files of SDF format and outputs the structures that match. Optionally adds a data field to the matched structures, e.g., biological activity. Useful for QSAR.
SDFCherry License - GNU General Public License (GPL).

  • Platform: WinOther

CARMEL is a suit of parallel codes designed to perform classical molecular dynamics simulations of atomic and ionic systemsPotentials : Lennard Jones, Yukawa, Tersoff Bond orderIntegrators : NPT, NVT, NVE
CARMEL 'CARbon MEchanics Lab' License - GNU General Public License (GPL).

  • Platform: WinOther
  • MolSnap
  • License: Shareware
  • Price: 1
  • Rating

Use MolSnap to capture a molecule structure image using camera and convert into editable Molecule file format (currently supporting SDF format). You can also use stored image to detect a molecular structure, or use the free hand drawing tool as a means to start building a molecular structure.

The identified molecular structure can be further edited using the inbuilt 2D molecule editor.

Tips:
- Identification of molecule depends on clarity of Molecule structure image
- Due to varied camera sensors, image captured using a camera may not always detect the molecules correctly (we are working to improve this, and expect updates)
- Currently the app has ability to detect only one structure from the image
- An image with multiple structures may confuse the detector
- No character recognition for atom symbols is currently...

  • Platform: Android 2.x, Android 3.x, Android 4.4, Android 4.x
  • Mnova
  • License: Shareware
  • Price: 321.00
  • Rating

Mnova is a software suite designed for the handling of Analytical Chemistry data in a multiplatform (Windows, Mac, Linux) environment. Its Graphical User Interface is Powerpoint-like and it currently incorporates plugins for the handling of NMR and LC/GC/MS data, although it has been designed to extend to other analytical techniques. Mnova can be easily deployed to all chemist's desktop and laptop computers in an organization, independently of Operating System of choice, of equipment manufacturer used for data acquisition and of the level of expertise in handling analytical data. Within a couple of hours, even inexperienced chemists will be obtaining excellent visualization and processing results and generating high quality reports.

  • Platform: WinOther

Mdxvu is a C code program for Linux, Un*x and Win32/Cygwin. It analyses molecular structures and molecular dynamics (MD) trajectories from the AMBER, GROMACS, TINKER and DISCOVER (TM) programs. Simple graphics are provided by using the X11/XLIB library..

  • Platform: WinOther

Protein Data Bank transformed into an SQL database with a very powerful search engine and a rich web interface. The engine combines chemical, sequence and 3D structure searches. The interface provides statistics, sequence and 3D structure alignments..

  • Platform: Linux, Unix, WinOther

11/18/12 THE NEW VERSION OF MOLCRUNCH IS HERE

Molcrunch is an atomic or molecular electronic properties computational package. It provides Gaussian and some Slater orbital support for SCF, MCSCF, and orthogonal or nonorthogonal orbital CI calculations.

Its most exceptional and sophisticated feature is a configuration manipulation CI package that provides symmetry filtering, orbital occupation selection, and a choice of many other wave function and/or basis characteristics.
Molcrunch License - Academic Free License (AFL).

  • Platform: Linux, Unix

SiSS(Size Structure Sumilator)Ecological Modeling Simulation for inter-scale model between Individual model and size structure model.
Size Structure Simulator License - GNU General Public License (GPL).

  • Publisher: Siss
  • Date:
  • Platform: WinOther

Developed as an educational software application, Petrology - the study of rocks requires you to answer various questions regarding rocks and their structure.

Petrology - the study of rocks is developed in the Java programming language and can function on various operating systems (Windows, Mac OS X, Linux).


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  • Platform: WinOther

This MilkShape 3D plug-in is used to import mesh data and bone structure from DOOM3 MD5MESH files (v1.0). No materials support as *.md5mesh files include only shader reference and no actual material data or texture name. This plug-in is also available on official MilkShape 3D site..

  • Platform: Win2000, WinOther, WinServer, WinVista

SNTP Wizard gives the power to retrieve the exact time from SNTP time servers across the Internet. These times are accurate because they are accessed from Atomic and radio frequency clocks. Some Useful features: Easy to get time information Great for timestamps for Local Time and UTC Can automatically set the client machines clock to the retrieved time Simple Network Time Protocol Wizard is great for getting time stamps, synchronising computer clocks and much more. Your mult-tier applications can really benefit from being able to make sure they are all running on the same schedule by synchronizing each computers clock precisely together.

  • Platform: Win2000, Windows Server, WinOther

Quickly display a webserver's file and directory structure with ListFiles ListFiles is an Active Server Pages component for obtaining web-server's directory structure. ListFiles allows you to see the web-server's files and directories from your browser.You can customize its powerful and easy interface in order files and directories to be displayed in your own interface. With ListFiles you can manipulate web-server's files not using FTP protocol, retrieving directory listings in an easy manner. Also ListFiles defines methods aimed at working with files and directories. Here are some key features of "ListFiles":View all subdirectories of the current directoryCreate your own interface to manipulate with Web Server's files Requirements:IIS4+ Or PWS4.

  • Platform: WinOther

AtomBox Studio application provides the user with a visual representation of the QuickTime, MP4, Fragmented MP4, 3GPP, 3GPP2 and Flash Video file containers inner structure. A tree-view presents the detailed atom and box structure of the file, showing the inner hierarchy and full parameter list of the atoms and boxes. A separate hexadecimal data preview is available, enabled for automatic file data positioning on tree-view atom/box selection. The supported file formats can contain a wide variety of different video coded streams: MPEG-2, MPEG-4, AVC/H.264, Animation, DV, MJPEG; still graphic formats: TIFF, PICT, JPEG; and audio streams: PCM, AIFF, AAC.

  • Platform: Tablets, Win2000, Win7 x32, Win7 x64, Windows Server, Windows Vista, WinOther, WinVista, WinVista x64
  • Packmage
  • License: Shareware
  • Price: 110
  • Rating

Packmage is a CAD software for packaging carton box design, it has dieline and box structure predefined in the library, with Parametric design and 3D box modeling features, designers can work more efficiently. Packmgae provide structural design of folding carton, packing box 3D animation shows and other functions. It has a wealth of box-type library, the user simply enter a few necessary parameters to complete the design of box-type structure diagram, combined with the file output, texture, three-dimensional animation exhibition of powerful features, customers and your box-type structure designer , graphic designers and production departments can quickly and accurately interaction.

  • Platform: Win2000, Windows Server, Windows Vista, WinOther

With Search Backups you can manage your CD / DVD inventory as well as the backup copies of your data and documents.

Therefore the folder and file structure is being read and saved completely. After that you can move through the whole folder and file structure of all indexed mediums in the same way as if the particular CD / DVD would be in your drive.

Additionally, you can search for folders or files in all indexed CDs / DVDs. For this purpose you can not only search for the name of the folders / files, but you can also choose from other search options like file size and change date.

  • Platform: Tablets, Win2000, Windows Server, Windows Vista, WinOther

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