subroutine char SEGMENTS set vari TEST_ATOM int = -1 if ( nathis .gt. 0 ) then set vari TEST_ATOM int atoms sele atom numb $1 end end_if show vari TEST_ATOM if ( AUTO_SEL .eq. "HISTORY" ) key XX_KEY sele by resi atom numb $1 end if ( AUTO_SEL .eq. "ACTIVE" ) key XX_KEY sele by resi 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 PASS_KEY sele by residue PASS_KEY end set vari ITES = -1 set vari ITEST int atom sele XX_KEY .a atom name CA CB N O C H end show vari ITEST if ( ITEST .le. 0 ) then echo MAIN_CMDS:trace_side.cmds NO MAIN CHAIN or EMPTY SELECTION ? return end_if key OLD sele all end dele atom sele segm name HE_X SIDE end dele atom sele XX_KEY .a .not atom name CA CB N O C H end ! set vari WORK_SEGM global = HELP set vari MAP_SIDE = nmaps + 1 show box sele XX_KEY end show key make map from MAP_ACT init 0 integer around 8 sele XX_KEY end if ( MAP_SIDE .ne. nmaps ) return show key XX_KEY trace side map MAP_ACT cont MAP_CONT - 0.3 work_map MAP_SIDE \ sele XX_KEY end sele XX_KEY .o segm name WORK_SEGM end \ step 30 \ residue "SP3 SP2 RN5 RN6" segment SIDE \ test TEST_ATOM dele map MAP_SIDE ! .or. segm name SIDE key entity sele by segm XX_KEY end show key XX_KEY show key entity key old sele all end make resi sele entity .o segm name SIDE end root CA rena segm HE_X sele entity end ! 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 .n old .a .n segm name TARG end sele segm name TARG end ! ! dele atom sele entity .or. segm name TARG end ! key XX_KEY drop ! key PASS_KEY drop < MAIN_CMDS:re_image.cmds WORK_SEGM ! image sele segm name HELP .a atom name CA end col 220 resi name image hist init