Atom prioritization

The redraw queue is the source from which atoms are drawn during the assembly phase (see below). It is initialized to one (more or less arbitrary) atom. Whenever an atom is placed, its as-yet-unplaced neighbors are inserted into the queue. The queue should be sorted by atom priority (see later section on Atom Prioritization), such that the next atom withdrawn is the most strategic of those residing in the queue. 

It is not critical where atom placement begins. However, opportunities for eventual atom overlap are lessened when one starts with a more centrally located atom. Most authors have recommended beginning with a highly substituted site, typically a ring atom. We likewise begin with the highest priority atom, as quantified by Shelley (see section above on Atom Prioritization). This atom is pushed onto the redraw queue, hitherto empty. The first atom placed in a fragment is called the head atom. ... 

The creation of a graphical representation of a tetrahedral stereocenter poses a choice as to which substituents should receive the wedge or hash bond. Shelley found that the same atom prioritization used to avert overlap served well. When the stereo bond is assigned to the lowest priority substituent, the stereo bond tends to be directed away from rings and toward hydrogens, as expected. 

Powerful AO = RBS congestion function atom prioritization and fleeing principle ring peeling Simple rotation of 3-D image for 2-D display... 

Moving responsibility for the force computation away from the patches required a move away from pure message-driven execution to dependency-driven execution in which patches control the data (atomic coordinates) needed for compute objects to execute. A compute object, upon creation, registers this dependency with those patches from which it needs data. The patch then triggers force calculation by notifying its dependent compute objects when the next timestep s data is available. Once a compute object has received notification from all of the patches it depends on, it is placed in a prioritized queue for eventual execution. 

E/Z prioritize groups by atomic weight (Z - higher priority groups on the same side)... 

Prioritize stereocenters such as acychc double bonds, ring fusion atoms, ring bridgehead atoms, etc. 

Manual for the classification and prioritization of risks due to major accidents in process and related industries. (lAEA-TECDOC-727). Vienna International Atomic Energy Agency, 1996. 

The atomic numbers of the directly attached atoms are ordered Br > C > H. To prioritize the two carbon groups, we must continue along the chain until a point of difference is reached. 

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