Expanding Your Horizons

A career conference for 5th - 6th graders.

Texas A&M's HPRC and Laboratory for Molecular Simulation

From Block to Code with Trinket:

https://hourofpython.trinket.io/from-blocks-to-code-with-trinket#/blocks/dragging-and-dropping

Snowflake

Explosion of Bubbles

Useful Webpages for Free Chemistry Related Software and Information 

Avogadro - Avogadro is a user-friendly molecule builder and editor.  Instructions for Avogadro (pdf)

avogadro.cc/

MolView - Webpage based tool to view molecules, dipole moment, and more

http://molview.org/

Discovery Studio Visualizer -  Commercial-grade graphics and molecular visualization

discover.3ds.com/discovery-studio-visualizer-download

iphone/ipad programs: iMolview lite, PyMOL, WolframAlpha, RCSB PDB Mobile, Molecules, Science360, VideoScience, ChemDoodle Mobile, Chem3D

ArgusLab - A molecular modeling, graphics, and drug design program.

www.arguslab.com/arguslab.com/ArgusLab.html

CrystalExplorer - a full-featured molecular crystal visualization tool.

wiki.crystalexplorer.net

Jimp2 - Visualizing and manipulating molecules including quantum level calculations for viewing molecular orbitals.

www.chem.tamu.edu/jimp2

ChemSketch – Chemical drawing program and more.

www.acdlabs.com/resources/freeware/chemsketch

Chemcraft light - A graphical program for working with quantum chemistry. 

www.chemcraftprog.com/lite.html

Gabedit - A free graphical user interface for computational chemistry packages

sites.google.com/site/allouchear/Home/gabedit

Chimera – Interactive visualization and analysis of molecular structures. 

www.cgl.ucsf.edu/chimerax/

ICM-Browser - Molecule Visualization.

www.molsoft.com/icm_browser.html

Swiss-pdb viewer - an application that provides a user-friendly interface allowing to analyze several proteins at the same time.

spdbv.vital-it.ch

Protein Data Bank - You may get structure file for proteins to view and maniputlate in VMD, Pymol, rasmol, Swiss-pdb viewer, etc from the protein databank site

www.rcsb.org

VMD, NAMD, and more – Software for visualizing and running molecular mechanics and dynamics calculations.

www.ks.uiuc.edu

TINKER – TINKER is a molecular modeling software. 

dasher.wustl.edu/tinker

GAMESS - The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package.

www.msg.ameslab.gov/GAMESS

CHEMICOOL – Website with interesting scientific information.

www.chemicool.com

Protein IDs from rcsb.org that are used in the video:

Collagen: 1cag

Insulin: 4ins

Antibody: 1igt

Hemoglobin: 2hhb

Mutated Hemoglobin (sickle cell anemia): 2hbs

More information about Hemeglobin: https://pdb101.rcsb.org/motm/41

Rhinovirus: 4rhv

Calcium pump: 1iwo, 1su4

Alpha-amylase: 1ppi

Insulin with Receptor: 3w11

Ferritin: 1fha


Additional Videos for Discovery Studio: https://www.youtube.com/c/BIOVIA1/search?query=discovery