A simple users manual for SAE. Leslie Grate NEW BUTTONS GSi, GSs, Si, Ss send display commands to rasmol. GS means Guide Sequence, and the i and s mean individual sequence, or the associated structure string. GSi displays in rasmol the guide sequence, GSs displays in rasmol the guide sequence structure string. Ss and Si do the same thing, but for the first currently selected sequence. Editing mode Key Definitions: 'o' OPEN adds 5 columns to the alignment. 'c' CLOSE up needless columns left of cursor. 'i' Changes column to an INSERT type. 'a' Changes column to an ALIGNMENT type. SPACE . - Push characters right. BACKSPACE ^h Pull characters left. 'm' place left edit region mark at cursor. 'M' place right edit region mark at cursor. 'u' turn OFF region editing. 'U' turn ON region editing. '>' Push characters right, RESPECTING REGIONS. '<' Push characters left, RESPECTING REGIONS. arrow keys move cursor. Editing functions. You have to enter EDITING MODE, via the EDIT button. (in this mode, you cannot 'select' sequences). Editing is VERY primitive: there are 2 'block of characters' movement commands. The SPACEBAR (or . or -) PUSH the characters to the right of the cursor. The BACKSPACE (or ^h) PULLS the block leftward. The key 'o' OPENS space (currently 5 columns) in the alignment. The 'type' of an alignment column can be changed. The 'a' key makes a column an ALIGNMENT column, the 'i' key makes it INSERT (as normally defined in the SAM sense). Columns that are not valid in the SAM sense are drawn in a VIOLET color. The left mouse button and the arrow keys move the cursor. You can SAVE (using the 'write file' command) which tells you how many errors there are before letting you write the file. Sae reads multiple numbers of a2m type files. If special sequence names of DSSP or STRUCTURE are found, they are put up top, and are assumed to be structure string information. All data is assumed to be consistent with a single alignment, no alignment is done by the program. Sae can talk to rasmol, and can send it select commands based on regions in the alignment you select. The command line switch -R turns off use of rasmol. Sae uses the environment variable RASMOL as the string to tell the shell to run rasmol. A good setting of this variable is in your .cshrc setenv RASMOL /projects/compbio/bin/$ARCH/rasmol A second good variable to set is where some PDB files are: setenv PDBDIR /projects/compbio/data/pdb The graphics display of sae is a simple pane with the multiple alignment. The RIGHT mouse button brings up the command menu, the LEFT button 'selects' sequences, and sweeping with the middle button (no feedback yet) selects a region. The 'selected' sequences can be hidden from view. The most important function of selection is to choose the 'master', or guide sequence, which SHOULD BE THE SAME SEQUENCE THAT IS LOADED INTO RASMOL. Since Rasmol only shows one PDB file at a time, all sequence numbers have to be translated into that numbering system for the selection to have any meaning. Sae allows you to choose what sequence should be the basis for computing this numbering. It defaults to the first or second sequence, but you can change it using the by selection and the 'make Selected Guide Seq' command. It is the sequence with the red box around it. One of the commands is 'Select in Rasmol', which sends the yellow hilighted region to Rasmol to select. Three more commands 'Hilight Exact|Similar|DisSimilar' automatically choose and select columns that are pure, have all the same 'type' (letters, dots, dashes), or a mix. These commands are all additive in that the rasmol display is not cleared of previous selections. The command 'Clear similar' resets the Rasmol display. The colored buttons are display flags. The CYS button is specifically to color cysteines (T). When two cysteines are in a column, they are drawn in PINK, otherwise DARKGREEN and BROWN are used. The other buttons only function in KIMMEN mode. They allow or disallow sending to rasmol the selects for the respective color. There is a primitive command line driven (no graphics) mode. The switches -d, -e, -s invoke the above mentioned commands and write the rasmol commands to stdout. You can use this to create scripts. Examples: run sae interactively with graphics and rasmol (env RASMOL set) sae -p$PDBDIR/1pht.pdb xxx.a2m run sae with no rasmol sae -R xxx.a2m run with no graphics to create script commands for selecting disSimilar and exact match columns sae -d -e xxx.a2m Same as above, but includes the load command for the given pdb file sae -p$PDBDIR/1pht.pdb -d -e xxx.a2m