It's important that structures can be easily viewed regardless of magnification. 2D chemical structures vary significantly in size and layout. Another is the alignment of rings in a regular grid-based coordinate system. A good example is the addition of atom labels to a carbon skeleton. Eliminate and reduce repetitive tasks.Drawing structures is considered a necessary distraction from other more important tasks, so saving time and reducing errors are highly valued.Īlthough numerous structure drawing packages have been developed over the last few decades, very little has been published about the elements comprising a good structure editor. Due to their constant use of this kind of software, experienced chemists are often quite discerning when it comes to form and function. Ergonomicsįew other forms of software get as much "face time" with chemists as a 2D structure editor. Also known as 'molecular editor' or 'sketcher', this genre of software plays the pivotal role between chemists with questions to answer and various cheminformatics tools that can provide those answers. Some would include: structure-searchable databases fast substructure searching various file formats and line notations encoding molecular structure numerous in silico property predictors Molecular modeling and 3D visualization.ĭespite their diversity, a common link connects each of these technologies: the chemical structure editor. Many cheminformatics technologies are vital to the practice of chemistry today. The convention for ions is to enclose the structure in parentheses and indicate the net charge in the upper right corner.The Chemical Structure Editor - Metamolecular If all atoms in the second period and above have at least one octet, and no atom in the second period exceeds an octet, and the total number of electrons in bonds and lone pairs equals the total number of available valence electrons, then we have produced a valid Lewis structure.Carbon and nitrogen are second-period elements that commonly form double and triple bonds as central atoms, and oxygen as the peripheral atom is often in a double bond with the central atom. If no more electrons are available and the central one does not yet have a full octet, a lone pair on a peripheral atom can be pushed into a second (or third) bond with the central atom. ![]() Never exceed an octet for an atom of period 2! For periods 3 and larger, the atoms are large enough to accommodate more than one octet in their valence bond shell.
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