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Molecular structure in Title/Summary

Molecular Genetics Demo

The demo of the program 'Molecular Genetics' consists of the introduction, the main menu and two of the six modules of the complete package, namely : Module 2: The structure of DNA Parts of module 6: RNA translation. Parts of module 6: RNA translation. The program offers examples and explanations for every molecular process. The animations will sure help you improve your knowledges.

Publisher: F. Triep Multimedia
Home page: www.ftriepmultimedia.nl
Last updated: January 29th, 2010

CrystalViewer

CrystalViewer is a free program for visualizing any crystal or molecular structure. It is designed to work seamlessly with CrystalMaker 9 for Mac or Windows, offering the same, advanced graphics with easy control, display, and measurement of distances and angles.

Publisher: CrystalMaker Software Ltd.
Last updated: March 14th, 2022

MOLGEN-MS

A new and powerful software that you can get it for free on your computers. The program system MOLGEN-MS is devoted to computer aided molecular structure elucidation.MOLGEN-MS is mainly adapted to low resolution electron impact mass spectra but also includes tools which allow to process high resolution data and results from atomic analysis.

Publisher: Lehrstuhl Mathematik II, Universitat Bayreuth
Home page: www.mathe2.uni-bayreuth.de
Last updated: December 8th, 2010

Molecular structure in Description

Millsian Beta

Main features:-Evaluate molecules for binding sites, reactive sites, and pockets, using our exact charge distribution profiles and optimized molecular structures.-Calculate optimized molecular structures for molecules not in existing databases. Reduce your reliance on molecular structure databases.

Publisher: Millsian INC
Home page: www.millsian.com
Last updated: November 25th, 2010

MSpin

Mspin is a new multiplatform software tool for the computation of NMR related molecular properties starting from 3D molecular structure. Mspin can compute Scalar Coupling Constants, NOE’s enhancements and Residual Dipolar Coupling Constants, incorporating several algorithms for each calculation.

Publisher: Mestrelab Research S.L.
Last updated: January 3rd, 2013

Spartan '16

The latest Spartan'16 release continues collaboration with Q-Chem, and provides a full range of computational models, spanning Molecular Mechanics, Semi-Empirical models, Hartree-Fock Molecular Orbital models, post-Hartree-Fock models including Density Functional and Moller Plesset approaches, as well as Thermochemistry recipes.

Publisher: Wavefunction, INC
Home page: www.wavefun.com
Last updated: November 16th, 2017

3-D Angles

3-D Angles displays three-dimensional representations of molecules using advanced perspective and lighting effects. These rendering effects make it easy to visualize the three-dimensional structures of different types of molecules. 3-D Angles is a perceptual learning module.

Publisher: University of California
Home page: www.molsci.ucla.edu
Last updated: November 10th, 2010

MGLTools

MGLTools is a software developed at the Molecular Graphics Laboratory (MGL) of The Scripps Research Institute for visualization and analysis of molecular structures. Its three main applications are: - AutoDockTools - Python Molecular Viewer - Vision

Publisher: The Scripps Research Institute
Home page: mgltools.scripps.edu
Last updated: June 13th, 2008

Additional Molecular structure selection

PyMOL

PyMOL can interpret over 30 different file formats from PDB files to multi-SDF files to volumetric electron density maps. PyMOL's straightforward graphical user interface allows first-time and expert users alike to create stunning 3-D images from their favorite file formats.

Publisher: Schrodinger, LLC
Last updated: June 16th, 2023

CrystalMaker

CrystalMaker provides a streamlined workflow that majors on productivity: just drag-and-drop your data files into the program for instant display in spectacular photo-realistic colour. Manipulate structures in real time, with the mouse. Multiple View "bookmarks" and undo levels encourage exploration and discovery - ideal for teaching and research.

Publisher: CrystalMaker Software Ltd
Last updated: July 18th, 2023

Diamond

Diamond is a program that allows you create and visualize diagrams of molecular and crystal structures with lots of tools and features to work with. It has help extensions and boxes that make easier to work with it, although you need to have previous knowledge on the subject to take advantage of its features.

Publisher: Crystal Impact GbR, Bonn, Germany
Home page: www.crystalimpact.com
Last updated: November 30th, 2024

BALLView

BALLView is a free molecular modeling and molecular graphics tool. It provides fast OpenGL-based visualization of molecular structures, molecular mechanics methods (minimization, MD simulation using the AMBER, CHARMM, and MMFF94 force fields), molecular editing, as well as calculation and visualization of electrostatic properties (FDPB).

Publisher: Plone Foundation
Home page: www.ballview.org
Last updated: April 20th, 2012

QikProp

QikProp is a program that efficiently evaluates pharmaceutically relevant properties for over half a million compounds per hour, making it a powerful lead generation and lead optimization tool. It provides the ability to detect problematic candidates early that can dramatically reduce the amount of wasted time and resources, and streamline the overall development process.

Publisher: Schrodinger LLC
Last updated: June 22nd, 2015

CAS Structure Editor

CAS Structure Editor is a standalone program designed for customers that are not able to use the Java based editor or those still experiencing problems. The program can be used in conjunction with SciFinder and it allows you to create structure queries offline and then import them to SciFinder.

Publisher: American Chemical Society
Last updated: January 6th, 2014

GaussView

GaussView is the most advanced and powerful graphical interface available for Gaussian. With GaussView, you can import or build the molecular structures that interest you, set up, launch, monitor and control Gaussian calculations, and retrieve and view the results, all without ever leaving the application.

Publisher: gaussian.com
Home page: www.gaussian.com
Last updated: February 11th, 2019

Molecular Workbench

MW covers a wide range of topics, such as gas laws, fluid mechanics, properties of materials, states of matter, phase change, heat transfer, chemical bonding, chemical reactions, structure-function relationships, the genetic code, protein synthesis, light-matter interactions, electron-matter interactions, and quantum phenomena.

Publisher: Concord Consortium, Inc.
Home page: mw.concord.org
Last updated: October 17th, 2010

ChemLab

Model ChemLab - Evaluation Version 2.5 is a lab simulation for lab experience. It has been originated from academics to computer simulation. Model ChemLab consists of a real-time animated interactive simulation engine. It features lab wizard tools which can be used to create lab simulations. The simulation so made can be replayed using the demonstration mode.

Publisher: Model Science Software Inc
Home page: modelscience.com
Last updated: May 26th, 2020

ChemWindow

ChemWindow is the software chemists choose for chemical structure drawing and publishing worldwide. It also offers integrated solutions to modify, store, search, and retrieve chemical structures and properties from databases, and molecular rendering.

Publisher: SoftShell International Ltd.
Last updated: March 22nd, 2010