proc write_picked_sequence {} { global vmd_pick_atom vmd_pick_mol # set oldmap {{GLY G} {ALA A} {VAL V} {PHE F} {PRO P} {MET M} {ILE I} {LEU L} \ # {ASP D} {GLU E} {LYS K} {ARG R} {SER S} {THR T} {TYR Y} {HIS H} \ # {CYS C} {ASN N} {GLN Q} {TRP W}} set resnamemap {GLY ALA VAL PHE PRO MET ILE LEU \ ASP GLU LYS ARG SER THR TYR HIS \ CYS ASN GLN TRP} set rescodemap {G A V F P M I L \ D E K R S T Y H \ C N Q W} set count 0 set pick [atomselect $vmd_pick_mol "same fragment as index $vmd_pick_atom"] foreach pair [lsort -unique [$pick get {resid resname} ] ] { # if {![keylget oldmap [lindex $pair 1] letter] } { # set letter X # } set mapindex [lsearch $resnamemap [lindex $pair 1]] if {$mapindex == -1} { set letter X } else { set letter [lindex $rescodemap $mapindex] } puts -nonewline $letter incr count if {$count >= 75} { puts "" set count 0 } } if {$count != 0} { puts "" } }