Explore the fascinating world of biological macromolecules:iMolview lets you browse and view in 3D protein and DNA structures from Protein Data Bank, drug molecules from DrugBank, and small molecules from Pubchem. Search for drug names like ibuprofen or gefitinib in DrugBank, or proteins like insulin or thyroid receptor in PDB. Load and contour electron density map

iMolview alternatives

Insensitive

Insensitive simulates the quantum mechanical models that are used to describe the nuclear magnetic resonance (NMR) experiment. The vector model, density matrix and product operators of an ensemble of up to four spins-1/2 and two spin types are visualized. If you like the app and would like to support its development, please consider buying my app Song Quiz.

  • size 35.4 MB

WebMO: Molecule Editor, Viewer, and Computational Chemistry Interface

WebMO allows users to build and view molecules in 3-D, visualize orbitals and symmetry elements, lookup chemical information and properties from external databases, and access state-of-the-art computational chemistry programs. WebMO is recommended for students and faculty in high school, college, and graduate school who desire mobile access to molecular structures, information, and calculations. WebMO capabilities include:- Build molecules by drawing atoms and bonds in a 3-D molecular editor, or by speaking the name (e.g., aspirin)- Optimize structures using VSEPR theory or molecular mechanics- View Huckel molecular orbitals, electron density, and electrostatic potential- View point group and symmetry elements of molecules- Lookup basic molecular information, including IUPAC and common names, stoichiometry, molar mass- Lookup chemical data from PubChem and ChemSpider- Lookup experimental and predicted molecular properties from external databases (NIST, Sigma-Aldrich)- Lookup IR, UV-VIS, NMR, and mass spectra from external databases (NIST, SDBS)- Capture high-resolution molecular images- Save and recall molecular structures locally- Export and import structures via emailWebMO is also a front-end to WebMO servers (version 14 and higher):- Supports Gaussian, GAMESS, Molpro, MOPAC, NWChem, ORCA, PQS, PSI, Quantum Espresso, VASP, Q-Chem, and Tinker computational chemistry programs- Submit, monitor, and view calculations- View formatted tabular data extracted from output files, as well as raw output- Visualize geometry, partial charges, dipole moment, normal vibrational modes, molecular orbitals, and NMR/IR/UV-VIS spectra

  • rating 5.0
  • size 19.5 MB

Orange NMR

App to predict 13C and 1H NMR spectra: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly).The number of heavy atoms in structure to predict for free is restricted to 12 atoms. 2009, 97, 91

  • size 17.8 MB

3D Molecules View&Edit Lite

3D Molecules View&Edit Lite: is a free 3D molecule builder and viewer. for students, educators, and researchers.3D Molecules View&Edit Lite allows users to open and view molecules in SDF format files, for example, from NCBIs PubChem (http://pubchem.ncbi.nlm.nih.gov), a public database of compounds or from RCSB Protein Data Bank (http://www.rcsb.org/pdb). The free version is a limited version of 3D Molecules Edit & Test

  • size 36.1 MB

Amino Acid Guide