Molecules vs Search PubChem

Molecules is an application for viewing three-dimensional renderings of molecules and manipulating them using your fingers. You can rotate the molecules by moving your finger across the display, zoom in or out by using two-finger pinch gestures, or pan the molecule by moving two fingers across the screen at once. These structures can be viewed in both ball-and-stick and spacefilling visualization modes. Molecules can be stored on your handheld device for later viewing and are loaded via a standard document-based file browser. Custom molecular structures can be downloaded to the application via file sharing or iCloud, and obtained via sources like the RCSB Protein Data Bank (http://www.rcsb.org/pdb), an international repository of biological molecules and their 3-D structures, or NCBI's PubChem (http://pubchem.ncbi.nlm.nih.gov), a public database of compounds. For more details, please visit our website. Molecules is a BSD-licensed open source project.

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.