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Chemistry 410: Visualization & Drawing

CHEM 410

Visualizations

Proteopedia
.Proteopedia contains one page for every entry in the World Wide Protein Data Bank, which contained >148,000 entries in January, 2019. Proteopedia is updated weekly with new entries shortly after they are released by the Protein Data Bank. Most of these pages, which are titled with a four-character PDB identification code, are "seeded" automatically to include a default view of the quaternary assembly ("biological unit", or if not provided by PDBe, the asymmetric unit), the abstract of the publication, green links to highlight sites and ligands, and molecule-specific links to other viewers and databases. If you click "Random" in the "navigation" box at the upper left, usually you will get an article titled with a PDB code, since they outnumber human-authored articles
From the Source

Swiss-PdbViewer aka DeepView
 

Swiss-PdbViewer (aka DeepView) is an application that provides a user friendly interface allowing to analyze several proteins at the same time. The proteins can be superimposed in order to deduce structural alignments and compare their active sites or any other relevant parts. Amino acid mutations, H-bonds, angles and distances between atoms are easy to obtain thanks to the intuitive graphic and menu interface.

Swiss-PdbViewer (aka DeepView) has been developed since 1994 by Nicolas Guex. Swiss-PdbViewer was initially tightly linked to SWISS-MODEL, an automated homology modeling server developed within the Swiss Institute of Bioinformatics (SIB) at the Structural Bioinformatics Group at the Biozentrum in Basel. However, the SWISS-MODEL web interface evolved to a point where it is now possible to use it directly for advanced modeling. Maintaining a direct interface with Swiss-PdbViewer is too complex and no longer supported.

Working with these two programs greatly reduces the amount of work necessary to generate models, as it is possible to thread a protein primary sequence onto a 3D template and get immediate feedback of how well the threaded protein will be accepted by the reference structure before submitting a request to build missing loops and refine sidechain packing.

Swiss-PdbViewer can also read electron density maps and provides various tools to build into the density. In addition, various modeling tools are integrated and residues can be mutated.

Finally, as a special bonus, POV-Ray scenes can be generated from the current view in order to make stunning ray-traced quality images
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No cost download

Drawing

BIOVIA Draw
"BIOVIA scientific software helps science-based organizations to create new materials and medicines to improve the health and the life of people and the sustainability of our planet.

We deliver a connected digital scientific environment by bridging the gap of the virtual and the real to support biological, chemical and materials innovation across industries."
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No fee registration required

 

ChemDraw
"Since 1985 ChemDraw® solutions have provided powerful capabilities and integrations to help you quickly turn ideas and drawings into publications you can be proud of.

A chemistry communication suite, ChemOffice+ Cloud Standard transforms your chemical drawings into chemical knowledge by facilitating the management, reporting and presenting of your Chemistry research."

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Free 14 day trial

ChemDoodle
"ChemDoodle 2D contains thousands of chemistry features, helping you produce the highest quality graphics and saving you hours of work."
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Free 14 day Trail

MarvinSketch & MarvinView
Marvin is one of the world’s most widely used and trusted chemical drawing software, utilized daily by over 100,000 scientists, researchers, start-ups and Fortune 500 organizations, including top 20 pharmaceutical companies.

In one application, you can simply and intuitively produce customizable illustrations, search for chemical structures online and perform advanced chemical calculations. Marvin can handle a large variety of chemical structures and file formats, so it’s robust enough for any use case.
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Limited free package for students

 

RasMol and OpenRasMol
"RasMol is a program for molecular graphics visualisation originally developed by Roger Sayle. This site is provided for the convenience of users of RasMol and developers of open source versions of RasMol. The site itself is provided courtesy of Bernstein + Sons. Maintenance of RasMol, much of the development, and integration of modifications provided by the community is done at the ARCiB project at RIT."
From the Source