Molecular modeling software

Great Free and Open Source Molecular Modeling Software List | Open ...

by OpenTube

PyMol PyMOL is a molecular viewer, render tool, and 3D molecular editor developed in the spirit of RasMol and OpenRasMol and intended for visualization of 3D chemical structures including atomic resolution X-ray crystal structures of: proteins,... Scientists have always been looking for Molecular Modeling software, which enables them to view structure of molecules in 2D and 3D space, rotate them as they wish, unders tand molecular patterns, DNA/RNA structures etc. Sirius Sirius is a component-based visualization framework designed for application in molecular modeling, drug discovery, protein structure analysis, as well as database mining and sequence-based work. Interestingly, there are quite a few Open Source tools that can help one understand the Molecule details, perform molecule modeling etc. RasMol is a molecular graphics program intended for the visualization of proteins, nucleic acids and small molecules. RasMol RasMol is a program for molecular graphics visualization originally developed by Roger Sayle. QuteMol QuteMol is an open source, interactive, high quality molecular visualization system. These are highly focused/specialized software with lots of software development costs involved from scientific research companies. The advanced "Molecule Builder" allows to rapidly sketch in molecules and examine them in 3D. Graphics can be exported to various formats, including animations. QuteMol visualization techniques are aimed at improving clarity and an easier understanding of the 3D shape and structure of large molecules or complex proteins. Jmol Jmol is an open-source Java viewer for chemical structures in 3D with features for chemicals, crystals, materials and biomolecules and much more. It can display a variety of calculation results including support for most major molecular file formats. This is really encouraging for those who admire and support such open software tools. It is equally suited for protein and small molecule construction and visualization. RasMol runs on wide range of architectures and operating systems including Microsoft Windows, Apple Macintosh, UNIX and VMS systems. Gabedit Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess and Q-Chem. QuteMol exploits the current GPU capabilities through OpenGL shaders to offers an array of innovative visual effects....

ePMV Tutorial 2: Installing ePMV/PMV. molecular modeling in professional animation software

ePMV, the "embedded Python Molecular Viewer" runs molecular modeling software directly inside of professional 3D animation applications ...

Software that models atomic-scale world wins 'SPORE' award

23.06.11

Growing up in China, Charles Xie did not have much to lure him into the world of science. His only concrete enticement, at least when he was very young, was a few simple books about such world-famous scientists as Thomas Edison and Albert Einstein.

Now, however, Xie is the architect of the Molecular Workbench software, a computational tool that allows students to manipulate live visualizations of atoms and molecules according to the real laws that govern their interaction.

"Think about how many more chemists or physicists can be produced when students who are developing an interest in science experience this," Xie says.

Because of its ability to draw students into the real world of science, the Molecular Workbench has been selected to win the Science Prize for Online Resources in Education.

Science magazine developed the Science Prize for Online Resources in Education (SPORE) to promote the best online materials in science education.

Source: EurekAlert (press release)

Are there any good books on applications for molecular modeling software?

Apr 15, 2008 by entropic v | Posted in Chemistry

I've had a few classes that use various modeling software but never get anything out of it other than going through the motions. what would be nice is something that puts it all together, say like in a matrix. So if you have a real chemical question

Cramer and Jensen seem to be the two common ones that go into deal about the theory.

They cover everything from Molecular Mechanics, to Ab Initio, DFT and various methods in each one.

http://www.amazon.com/Essentials-Computa

arenium | Apr 17, 2008

Cramer and Jensen seem to be the two common ones that go into deal about the theory.

They cover everything from Molecular Mechanics, to Ab Initio, DFT and various methods in each one.

http://www.amazon.com/Essentials-Computa

arenium | Apr 17, 2008

Where I can get free molecular modelling software for my research towards cancer research?

Jun 13, 2008 by Muthu | Posted in Cancer

I am the learner and starter in the field of molecular modelling which initiates research on drug research towards cancer. I would be great if anyone can give me a answer, from where I will get free molecular modelling softwares. I need to design chemical

check out this research group .......someone on the message board might be able to help http://boinc.bakerlab.org/rosetta/

ihateptcruisers | Jun 16, 2008