#set:bg_colour=gui.html.bg_colour #set:font_colour=gui.html.font_colour set:font_colour_code=#aaaaff set:font_colour_bold=gui.html.highlight_colour c:fuse c:html.ItemState index* 0 c:html.ItemState index-home 1 c:html.ItemState tab* 2 c:lines 10 p:This tutorial will look at how to use the packing features in Olex2, in order to show how the molecules in a crystal structure interact with one another. The Sucrose example structure will first be loaded. c:freeze(true) c:reap 'DataDir()/samples/sucrose/sucrose.res' c:spy.revert_to_original() c:showQ a false c:showQ b false c:freeze(false) p:First, click on the View tab toolbar. h:tab-view c:spy.demo.switch_tab_for_tutorials(view) p:Next, click on the Symmetry Generation tool tab to show the available commands. h:h2-symmetry-generation c:html.ItemState h2-view-symmetry-generation 1 p:Now open the Packing tool tab. h:h3-Packing c:html.ItemState h3-packing 1 p:One tool for specifying how many repeating units to pack onto the screen is the Pack Radius slider. Slide it to the right to see more molecular units. c:html.setbg(slidepackradius,red) c:html.setvalue(slidepackradius,15) c:html.setvalue(packradius,15) c:html.setvalue(packradius,html.getvalue(slidepackradius)) c:pack html.getvalue(packradius) c:refresh p:In order to reduce this packed structure back down to a single unit again, first click on the Symmetry Tools tool tab. c:html.ItemState h3-packing 2 h:h3-Symmetry-Tools c:html.ItemState h3-symmetry-tools 1 p:Then click on Fuse, or just type the command 'fuse'. (This is a much-used line command.) h:three-Fuse c:fuse c:refresh p:To display the unit cell, type 'cell'. (The display can be switched off by typing 'cell' again.) c:cell c:refresh p:To fill the unit cell now displayed, click Fill Unit Cell in the Packing tool tab, or type 'pack cell'. c:html.ItemState h3-packing 1 c:pack cell c:refresh p:To display the structure out to the currently defined limits set for a, b, and c, click on Pack to limits or type 'pack'. c:pack c:refresh p:Packed structures can be moved, rotated, and manipulated as normal molecular units. For example, here is the structure rotated 90 degrees about the x axis with the 'rota x 90' line command. c:rota x 90 c:refresh p:End of tutorial. Press 'Next' to repeat the tutorial or 'Cancel' to exit.