## Please note that all actions from all_tutorials_preamble.txt will be added here! c:itemstate home-start 2 c:showQ True p:Welcome to this introductory tutorial. To get the most out of it, please read this text carefully and when you are done press the Next button - or simply hit the Return key!
p:We suggest that you go through the whole tutorial first, then run it again and exit at a suitable point from which you can try and do for yourself what you have learned from previous times you have gone through the tutorial. p:In this tutorial, we will be solving and refining one of the sample structures that come with Olex2 - Sucrose. p:We load the structure from the Start tool. The tool will be highlighted after you move to the next page. h:h2-start c:itemstate home-start 1 c:refresh c:freeze(true) c:reap 'DataDir()/samples/sucrose/sucrose.res' c:spy.revert_to_original() c:mpln -n c:freeze(false) c:refresh p:In order to open a sample structure click on one of the links next to the title Sample Structure, the structure should already have been opened since the last page. p:By clicking on the Work tab, we get access to the main tools: h:tab-work c:spy.switch_tab_for_tutorials(work) p:Structure Solution... h:btn-solve;1 p:Structure Refinement... h:btn-refine;1 p:... and make Reports. h:btn-report;1 p:For example, we can solve the structure by typing solve or by clicking the Solve button. We will do this now. h:btn-solve;1 c:solve c:waitfor process c:refresh p:We can tidy this solution by typing clean or by pressing the Clean button. h:toolbar-tidy c:clean c:compaq -a c:refresh p:Let's press the Refine button or type refine and refine what we've got so far. h:btn-refine;1 c:refine p:With the Uiso Slider in the Toolbox Work we can select all those atoms that look 'too small' c:itemstate work-main-toolbar 1 c:html.setBG(UISO_SELECT_SLIDER,#ff0000) c:html.setvalue(UISO_SELECT_SLIDER,-7) c:html.setvalue(UisoSelectVal,<0.035) c:sel atoms where xatom.uiso < 0.035&&xatom.type!='Q' c:refresh p:... and make them into Oxygen by pressing the O button. h:btn-elementO c:name sel O c:refresh p:Refine this again... c:refine p:Now it's time to make everything anisotropic. Type anis or click on the ANIS button. h:toolbar-anis c:anis c:refine p:... clean it ... c:clean p:Let's add some hydrogen atoms to this. Type hadd or click on the ADD H button: h:button_small-add_h c:hadd c:refine c:refresh p:You can toggle the display of electron density peaks (Q-peaks) by repeatedly pressing the Q button or by CTRL+Q h:toolbar-q c:showQ False c:refresh ## p:Of course, we can change the settings of the solution program. p:We do this, by clicking the Solution Settings Button. h:cbtn-solve c:itemstate solve-settings 1 p:Here we can choose solution programs and settings ... h:SET_snum_solution_PROGRAM_bg h:SET_snum_solution_METHOD_bg p:... set the Formula and can determine the space group. h:SET_SNUM_REFINEMENT_FORMULA_bg h:SET_SNUM_REFINEMENT_SPACE_GROUP_bg p:When you click on Suggest SG link, or type sg, watch what happens! c:sg c:refresh p:In order to see all the console output, you can type lines -1. c:lines -1 c:refresh p:If you type text or press the little text icon, you will get a 'transcript' of the console in your text editor h:toolbar-text c:text c:refresh p:To show only 10 lines, type lines 10 c:lines 10 c:refresh c:itemstate solve-settings 2 c:spy.switch_tab_for_tutorials(home) p:End of tutorial, press next to repeat the tutorial or cancel to exit.
Written by Simon Harries.