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OLEX2Quick Reference Files reap brings up the Open File dialog (also accessible using CTRL-‐O) close closes current structure save model saves the current model and display settings to a “.oxm” file load model retrieves a saved model file (defaults to current_filename.oxm) edit [filetype] edits current INS, LST, CIF (or any other extension (defaults to INS) Model Building fuse displays only the asymmetric unit compaq moves all atoms of the asymmetric unit as close together as possible compaq [–q,–a,–c,–m] as above, but considers Q-‐peaks, fragments, atoms, or non-‐metals move moves all fragments as close to the unit cell center as possible uniq atoms displays the fragment connected to selected or named atom(s) fmol displays all fragments grow grows incomplete molecules or fragments using symmetry grow –w grows structure using symmetry generators already applied mode grow shows clickable “bonds” to grow fragments using symmetry mode grow –s shows clickable “bonds” to grow to atoms with short interactions pack generates packing diagram with default (large) number of unit cells pack 0 1 packs atoms/fragments between zero and one (other #’s possible) pack cell packs all atoms that fall within unit cell (combine with grow –w) mode pack Displays asymmetric units as a set of tetrahedral (click to add units) kill $q kills (deletes) all Q-‐peaks conn n atoms sets maximum number of bonds for selected or specified atoms to n addbond atoms adds a bond to connectivity list for selected or specified atoms pairs delbond bond(or atoms) removes selected bond (or bond between specified atoms) from list hadd [atoms] adds hydrogen atoms to all (default), selected, or named atoms Refinement refine [n m] runs n cycles of refinement and displays m Q-‐peaks CTRL-‐R (-‐R on Mac) runs the refinement with the current number of cycles/peaks weight updates the weighting scheme to the (SHELX) suggested scheme anis [atoms] makes selected or named atom(s) anisotropic (defaults to all atoms) isot [atoms] makes selected or named atom(s) isotropic (defaults to all atoms) addins instruct adds the SHELX instruction to the current INS file (e.g. addins EXTI) fixunit [Z’] sets SFAC and UNIT to content of asymmetric unit (default Z’=1) Selections sel $x selects all atoms (or peaks) of type x (e.g. sel $h or sel $q) sel C1 C10 selects all the carbon atoms in the range C1 through C10 sel part n select all atoms in PART n selback re-‐selects the last set of selected atoms and/or bonds SHIFT + lclick drag to select atoms within a given rectangle CTRL-‐A select all atoms, bonds, and objects CTRL-‐I inverts the current selection ESC (escape) unselects the current selection (also exits current MODE) DEL atoms deletes selected atom(s) or object(s) (CTRL-‐DEL on Mac) sort +ml moiety +s sorts atoms by mass and label and forms moieties by size Model Style telp [n] displays atoms as thermal ellipsoids (percentage n) pers displays the model in typical ball and stick style proj displays the model in a simple wireframe style tubes displays the model in the “tubes” drawing style sfil displays atoms as spacefilling spheres OLEX2Quick Reference Olex2 QR version 1.01 – 2/8/2012 Naming F3 toggles display of atom names labels name $q C changes of the element type of all Q-‐peaks to C (Q-‐peaks become carbon) name 1 atoms names the selection (e.g. C1, C2, …) starting with the number given name atoms P changes the atom type of the selected atom(s) to phosphorus Display matr n orients the model along the a (n=1), b (n=2), or c (n=3) axis cell toggles display of the unit cell boundaries F2, F4 toggles the background color white and solid (F2), or gradient (F4) lines n sets the number of text lines to display to n, use –1 for all lines CTRL-‐T toggles display: 1) structure and text, 2) text only, 3) structure only CTRL-‐Q toggles Q-‐peaks: 1) Q-‐peaks, 2) Q-‐peaks w/bonds, 3) no Q-‐peaks CTRL-‐H toggles H’s: 1) show hydrogens, 2) w/H-‐bonds, 3) hide hydrogens qual {–l,–m,–h} sets drawing quality to low, medium or high Information envi atom prints distances and angles to all atoms within 2.7Å of selected atom fvar if nothing selected, prints current values of all free variables (FVAR) hklstat prints detailed information ab