iMolview Lite vs Search PubChem

Explore the fascinating world of biological macromolecules: iMolview Lite lets you browse and view in 3D protein and DNA structures from Protein Data Bank, and drug molecules from DrugBank. Search for drug names like 'ibuprofen' or 'gefitinib' in DrugBank, or proteins like 'insulin' or 'thyroid receptor' in PDB. Information associated with each molecule in these databases is also at your fingertips. Sync and view your own structure files via iTunes. Molecular view can be customized with a rich set of molecular representations (wires, balls-and-sticks, space filling, ribbon diagrams, molecular surfaces) and various coloring schemes. Select residues, atoms or chains and color or change their representations individually. Select 'neighbors' of a ligand or any other selection to identify interacting atoms or residues. Set 'inertia' to the maximum and let your molecule spin in 3D indefinitely. If you have more than a casual interest in 3D structures, please consider full iMolview version, which adds many features you may find useful: - store your custom molecular visualizations as 'slides' to be instantly displayed later, preserving chosen representations, color schemes, viewpoint etc. - measure distances and angles - instantly e-mail screenshots to colleagues - VGA output support - 3D view mirroring and 'laser pointer' emulation for structural data presentations from your iPhone or iPad - load and display simultaneously multiple structures; superimpose using either residue number correspondence, sequence alignment or structural alignment with sophisticated iterative procedure - auto-assign secondary structure for PDB entries lacking this data - use side-by-side stereo display for even more vivid 3D viewing. - much more to come!

The app allows to search compounds through PubChem and helps to keep information on solutions made of those compounds. I. Compounds Tab Search the open chemistry database 'PubChem' at the National Institutes of Health (NIH) for chemical compounds. The app helps to find a compound by name from the collection of more than 111 million compounds. It downloads and stores the molecular formula, weight, and structure. Compounds 1. Selecting the "Compounds" tab will present a list of compounds. - If there are any solutions made of a compound, a droplet will appear next to the compound's name. 2. When a compound is selected, a view with the detailed information will appear. Follow the instruction in "Details for a compound". 3. When the "+" button is selected, a view for search will appear. Follow the instruction in "Search for a compound". Details for a compound 1. Click "Compounds" to return back to the table of compounds. 2. Click the magnifier icon to open the compound's PubChem page in the user's default web browser. 3. Click the trashcan icon to delete the compound. This function may not be available if there is a solution made of the compound. 4. Click one of the solutions made of the compound to display the information. See "Details for a solution" below. 5. Click "3D" to display a 3D structure. Use pan and pinch gestures to rotate and zoom the scene. Search for a compound 1. Select "Compound Name" ("CID") and type a compound name (PubChem CID). 2. Click "Search" to connect to PubChem. An activity indicator will appear until the search is finished. - If the search succeeds, the downloaded information will appear. - If the search fails, an alert will appear. 3. Click "Save" to store the information about a compound. 4. Click "Cancel" to dismiss the scene. II. Solutions Tab Choose compounds downloaded from PubChem and make a solution. The app allows to record a list of compounds with amounts dissolved in a solution. For the saved solutions, the app displays their compositions in gram and mol. Solutions 1. Selecting the "Solutions" tab will present a list of solutions. 2. When a solution is selected, a view with the detailed information will appear. Follow the instruction in "Details for a solution". 3. When the "+" button is selected, a view for search will appear. Follow the instruction in "Making a solution". Details for a solution 1. Click "Solutions" to return back to the table of compounds. 2. Click the 'action' icon to share a csv file containig the information about the solution. 3. Click the trashcan icon to delete the solution. 5. Choose the unit among gram, mg, mol, and mM. 6. Select one of compounds to display its structure and formula. See "Mini details for a compound" below. Making a solution 1. Click "Add Compounds" to bring a collection of compounds. See "Compounds collection" below. 2. The names of the compounds selected from "Compounds collection" will be displayed as “Solution Label”. A user can edit “Solution Label”. 3. The unit for the amount can be chosen among gram, mg, mol, and mM. 4. The amount may be entered. 5. Click "Save" to create and add a new solution. 6. Click "Cancel" to dismiss the scene. Compounds collection 1. Select or deselect compounds by clicking the images of compounds. 2. Selected compounds will be displayed. 3. Click "Done" to return back to "Making a solution". 5. Click "Cancel" to dismiss the scene.