Rasmol Tips and Tricks Overall strategy: Select something Do something to the selection Selection commands: select all select his (selects all the histidines) select 1 (selects the first residue) select 1,34,87 select 1-21 select hetero (all the hetero atoms) select hoh (the waters) select hetero and not hoh (all the hetero atoms that are not water) select *CA (all the alpha carbons) C carbonyl carbons O carbonyl oxygens N amide nitrogens select 18 and *.CA (select the Calpha atome of residue 18) select sidechain select backbone select 18 and sidechain select helix select sheet select not (helix or sheet) Do something to it: wireframe on wireframe off wireframe 75 (makes a fatter wire - this is like the sticks command) ribbons on cpk (this is spacefilling - like a cpk model) color stuff color red (or blue, green, cyan, etc) color [100,100,100] (this gives the color is red green blue - 100,100,100 is dark grey) color cpk (give cpk colors) zap (erases EVERYTHING -- YOU HAVE TO START COMPLETELY OVER...) background white (gives a white background instead of black) load pdb "proteins/1HRC.pdb" script .scr or .txt write .scr (writes a script to make the view on the screen, you cannot edit this later!) rotate x 10 rotate y -10 rotate z 30 translate x 10 translate y -10 Comment: To put a comment into your script use the pound symbol: # # This is a comment, it won't be executed color green #the "color green" will be executed but this comment won't! Use comments to "morph" one script into another. Eventually you get all your known commands into one big script and you can pick and choose what to do! Example: Select backbone and 1-20 #wireframe ribbons # wireframe 75 #color red #color [100,100,0] color blue Select everything within 10 angstroms of amino acid 48 select within (10, 48) You can also define a group of atoms or residues: define ncac (*.N, *.CA, *.C) This is a different definition of backbone atoms that is useful when looing at NMR structures because it does not select the amide or alpha protons. You use it like this: select ncac wireframe ncac and etc. You can also define a group of residues: define helix1 (1-15) select helix1 wireframe 75 color red If you named all the helices, helixX X=1-5 then you can easily change their properties and colors.