Structure Input Options and Usage
A Brief Tutorial
Polymer Structures can either be drawn or
selected from a drop down list. The drop-down list affords quick
access to common polymers; simply select from the list to automatically
populate a polymer for analysis.
Alternatively, a polymer can be drawn in
for analysis, using the JME Editor courtesy of Peter Ertl, Novartis.
General instructions on usage are available within the Java window by clicking on the "Help" Button.
Specific to drawing a polymer for this
tool, begin by drawing the base structure of the polymer repeat
unit, and leave the edges of the repeat unit undefined.
For example, polystyrene would be drawn:
Next, identify and tag the edges of the
repeat unit with asterisks (*). To do this, click the "X" atom
type, and in the resulting pop-up window, type an asterisk:
Close the window, and highlight and
replace the end groups of the repeat unit with asterisks.
When you are happy with this, click the
"Submit Molecule" Button.
At this point, you can select a particle
for calculation from the drop down menu:
When you are ready to submit, click
After processsing is completed, you will
be presented with a results page, in this case, polystyrene and