subroutine char SEGMENTS if ( AUTO_SEL .eq. "HISTORY" ) key XX_KEY sele history end if ( AUTO_SEL .eq. "ACTIVE" ) key XX_KEY sele active end if ( AUTO_SEL .eq. "WORK" ) key XX_KEY sele segm name SEGMENTS end key PASS_KEY sele by bond XX_KEY end key XX_KEY sele by resi PASS_KEY end key OLD sele all end make resi sele XX_KEY end key XX_KEY sele XX_KEY .a .not segm name HELP end key PASS_KEY sele .not OLD end dele atom sele OLD end < MAIN_CMDS:re_image.cmds WORK_SEGM return read file MAIN:top/targets_ac.pdb coor pdb read file MAIN:top/targets_ac.ctab ctab first sele segm name TARG end find names sele PASS_KEY end sele segm name TARG end ! find names sele segm numb 5 .and seq 23 end sele segm name TARG end copy resi sele PASS_KEY end sele XX_KEY end ! wr res seq segm dele atom sele segm name TARG end build sele by resi XX_KEY end fill sele by resi XX_KEY end dihed exit key XX_KEY sele by resi XX_KEY end make pair init name seq \ sele by resi PASS_KEY end \ sele by resi XX_KEY end !wr pair copy coor pair calc coor append sele XX_KEY end dele bond sele segm name SEGMENTS .and. bond range 3.7 1000. end calc pair init sele XX_KEY end \ sele segm name HELP end range 0.0 0.02 dele atom sele PASS_KEY end dele atom sele by pair XX_KEY end key XX_KEY drop key PASS_KEY drop < MAIN_CMDS:re_image.cmds WORK_SEGM return