#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:itemstate index* 0 c:itemstate tab* 2 c:itemstate index-home 1 c:lines 10 c:showq false p:This tutorial will show you how to use the sorting options in Olex2, the first thing this tutorial will do is to load sucrose as an example to show this. c:freeze(true) c:reap 'DataDir()/samples/sucrose/sucrose.res' c:spy.revert_to_original() c:freeze(false) p:First you need to click on the Work tab in the top toolbar h:tab-work c:spy.switch_tab_for_tutorials(work) p:Then you need to select the Sorting tab h:h2-sorting c:itemstate work-sorting 1 p:Once the tab has been opened there will be 4 buttons in the tab, the first button Mass & Label creates a table that sorts the atoms by mass but allows for the labels to be used in other areas p:The table gives you the results for the Atom label, Type, its X,Y and Z position, Ueq, Chemical Occupancy, Peak, R-bond and R-VdW p:Selecting the button will create a table of results in the command window h:button-mass_&_label c:sort +ml c:info c:refresh p:In order to see all the lines of text in the command window you need to type the command lines -1 c:lines -1 c:refresh p:Alternately you could type in the command text in order to bring a window up that contains all the text that will also let you scroll up and down, you could also do this by clicking on the notepad icon at the top of the window h:toolbar-text c:text p:To make it easier to find the relevant information you can also type in the command clear before the the text command as this will only show the table you are wanting to look at now. c:clear c:sort +ml c:text p:The next button Atom Label sorts the table alphabetically by the Atoms label name h:button-atom_label c:sort +al c:info c:refresh p:Again you can use which ever method is easiest for you in order to view the table. p:The next button in the tab is Atomic Mass this will sort all the atoms by their atomic mass. h:button-atomic_mass c:sort +m c:refresh p:As before you can view these in any format that you like. p:The last button in the tab is Moieties which will allow you to sort molecules like ZP2 into a split format, so for this example ZP2 will be loaded. c:freeze(true) c:reap 'DataDir()/samples/ZP2/ZP2.res' c:spy.revert_to_original() c:freeze(false) p:Now you can click on the Moieties button h:button-moieties c:sort moiety c:info c:refresh p:You can view the results for these through either medium again but it is recommended to view this through the text box as not all the results will fit into the command window. c:text p:You can also mix and match some of these options in order to get different types of sorted tables for all the available sort options type the command help sort c:help sort c:refresh p:An example that you may want to try out would be to mix the moiety sort with the mass and label sort, to do this type into the command line sort +ml moiety c:sort +ml moiety c:info c:refresh p:This should of now produced a table that has the atoms sorted by their atomic mass but still relative to which molecule they came from with the labels they have been given. c:text p:You can also switch which way round the molecules appear in the moiety list by adding an extra part to the end of the command line so for example in the example we are using if you enter in the command sort +ml moiety F2 F1 c:sort +ml moiety F2 F1 c:info c:refresh c:text p:End of tutorial, press next to repeat the tutorial or cancel to exit.