; -*-scheme-*- ; (set-console-display-commands-state 0) (set-ligand-water-to-protein-distance-limits 1.5 3.6) (set-map-sharpening-scale-limit 200) ; trackball niceness (vt-surface 1) ; (set-colour-map-rotation-on-read-pdb-c-only-flag 1) (set-colour-map-rotation-on-read-pdb-c-only-flag 1) (set-idle-function-rotate-angle 0.1) (set-default-bond-thickness 5) (set-default-initial-contour-level-for-difference-map 7.0) (define oca-server "http://oca.ebi.ac.uk") (define oca-server "http://www.ebi.ac.uk/msd-srv/oca") (set-residue-selection-flash-frames-number 1) ; show probe dots after we have refined a residue range ;(set-do-probe-dots-post-refine 1) ; (set-do-probe-dots-on-rotamers-and-chis 1) (set-raster3d-bond-thickness 0.1) (set-raster3d-atom-radius 0.1) (no-coot-tips) (define f (lambda () (ideal-nucleic-acid "RNA" "A" "AGUD"))) ; (set-dragged-refinement-steps-per-frame 4) (add-planar-peptide-restraints) (set-sticky-sort-by-date) (set-filter-fileselection-filenames 1) (ligand-expert) ; (set-add-terminal-residue-do-post-refine 1) (add-key-binding "Refine Active Residue" "r" (lambda () (manual-refine-residues 0))) (add-key-binding "Refine Active Residue AA" "x" (lambda () (refine-active-residue))) (add-key-binding "Triple Refine" "t" (lambda () (manual-refine-residues 1))) (add-key-binding "Triple Refine AA" "h" (lambda () (refine-active-residue-triple))) (add-key-binding "Autofit Rotamer" "j" (lambda () (auto-fit-rotamer-active-residue))) (add-key-binding "Pepflip" "q" (lambda () (pepflip-active-residue))) (add-key-binding "Go To Blob" "g" (lambda () (blob-under-pointer-to-screen-centre))) (add-key-binding "Add Water" "w" (lambda () (place-typed-atom-at-pointer "Water"))) (add-key-binding "Eigen-flip Ligand" "e" (lambda() (flip-active-ligand))) (add-key-binding "Add Water +" "W" (lambda () (blob-under-pointer-to-screen-centre) (place-typed-atom-at-pointer "Water") (refine-active-residue))) (add-key-binding "Add terminal residue" "y" (lambda () (using-active-atom (add-terminal-residue aa-imol aa-chain-id aa-res-no "auto" 1)))) (add-key-binding "Fill Partial" "k" (lambda () (using-active-atom (fill-partial-residue aa-imol aa-chain-id aa-res-no aa-ins-code)))) (add-key-binding "Toggle Ghosts" ":" (lambda () (let ((keyboard-ghosts-mol (let ((ls (model-molecule-list))) (let loop ((ls ls)) (cond ((null? ls) -1) ((ncs-ghosts (car ls)) (car ls)) (else (loop (cdr ls)))))))) (if (= (draw-ncs-ghosts-state keyboard-ghosts-mol) 0) (set-draw-ncs-ghosts keyboard-ghosts-mol 1) (set-draw-ncs-ghosts keyboard-ghosts-mol 0))))) (add-key-binding "Hydrogens off" "[" (lambda () (let ((imol (let ((active-atom (active-residue))) (if active-atom (car active-atom) 0)))) (set-draw-hydrogens imol 0)))) (add-key-binding "Hydrogens on" "]" (lambda () (let ((imol (let ((active-atom (active-residue))) (if active-atom (car active-atom) 0)))) (set-draw-hydrogens imol 1)))) (add-key-binding "Rotamers dialog for Active Residue" "Q" (lambda () (using-active-atom (show-rotamers-dialog aa-imol aa-chain-id aa-res-no aa-ins-code aa-alt-conf)))) (add-key-binding "Rotamer name in Status Bar" "~" (lambda () (using-active-atom (let ((name (get-rotamer-name aa-imol aa-chain-id aa-res-no aa-ins-code))) (if (not name) (add-status-bar-text "No name found") (if (string=? "" name) (add-status-bar-text "No name for this") (add-status-bar-text (string-append "Rotamer name: " name)))))))) (add-key-binding "Sphere Refinement" "R" (lambda () (if (not (valid-map-molecule? (imol-refinement-map))) (info-dialog "Must set the refinement map")) (using-active-atom (let* ((rc-spec (list aa-chain-id aa-res-no aa-ins-code)) (ls (residues-near-residue aa-imol rc-spec 4.5))) (refine-residues aa-imol (cons rc-spec ls)))))) (add-key-binding "Sphere Regularization" "B" (lambda () (using-active-atom (let* ((rc-spec (list aa-chain-id aa-res-no aa-ins-code)) (ls (residues-near-residue aa-imol rc-spec 4.5))) (regularize-residues aa-imol (cons rc-spec ls)))))) (add-key-binding "Edit Chi Angles" "X" (lambda () (using-active-atom (edit-chi-angles aa-imol aa-chain-id aa-res-no aa-ins-code aa-alt-conf)))) (add-key-binding "Delete this water" "D" (lambda ()(apply delete-atom (active-residue)))) (add-key-binding "Jiggle Fit" "J" (lambda () (using-active-atom (fit-to-map-by-random-jiggle aa-imol aa-chain-id aa-res-no aa-ins-code 100 1.0)))) (add-key-binding "Step scrollable map number" "M" (lambda() (let ((maps (map-molecule-list)) (current (scroll-wheel-map))) (if (not (null? maps)) (let ((l (memq current maps))) (set-scroll-wheel-map (if (> (length l) 1) (cadr l) (car maps)))))))) (add-key-binding "Delete Residue Hydrogens" "N" (lambda () (using-active-atom (delete-residue-hydrogens aa-imol aa-chain-id aa-res-no aa-ins-code aa-alt-conf)))) (add-key-binding "Undo Symmetry View" "V" undo-symmetry-view)