subroutine char SEGMENTS char METHOD if ( METHOD .eq. "INITIALIZE" ) then dele atom sele segm name HELP NEW ORIG #* end end_if 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 set vari WALK_STEP = 1.42 key OLD sele all end if ( TRACE_MAP .eq. "DENSITY" ) then set vari MAP_CUT = MAP_CONT + 3.0 make point init from map MAP_TARG extreme MAP_CUT 100. make atom from point end_if if ( TRACE_MAP .eq. "GRADIENT" ) then set vari MAP_CUT = MAP_CONT + 5.6 make point init from map MAP_TARG extreme MAP_CUT 100. make atom from point end_if if ( METHOD .eq. "APPEND" ) then dele atom sele around key XX_KEY dist WALK_STEP * 0.6 .a .not OLD end end_if rena segm HELP sele .not OLD end ! segm name #* end calc bond sele segm name HELP end dist WALK_STEP * 1.05 set clas sele segm name HELP end = HELP set weight sele segm name HELP end = 1.0 if ( METHOD .eq. "INITIALIZE" ) then set vari WORK_SEGM char glob = HELP end_if if ( METHOD .eq. "APPEND" ) then set vari WORK_SEGM char glob \ segm sele segm name WORK_SEGM .o segm name HELP end end_if key OLD drop key XX_KEY drop < MAIN_CMDS:re_image.cmds WORK_SEGM return image col 220 sele segm name HELP end bond image col 160 sele atom name XEXT end atom cros return key OLD sele all end clo uni 4 read file fort.4 coor image col 200 sele .not OLD end atom cros clo uni 4 delete atom sele .not OLD end clo uni 3 read file fort.3 coor image col 150 sele .not OLD end atom cros clo uni 3 delete atom sele .not OLD end clo uni 2 read file fort.2 coor image col 120 sele .not OLD end atom cros clo uni 2 delete atom sele .not OLD end clo uni 1 read file fort.1 coor image col 85 sele .not OLD end atom cros clo uni 1 delete atom sele .not OLD end return key OLD sele all end clo uni 4 read file fort.4 coor image col 200 sele .not OLD end atom cros clo uni 4 delete atom sele .not OLD end clo uni 3 read file fort.3 coor image col 150 sele .not OLD end atom cros clo uni 3 delete atom sele .not OLD end clo uni 2 read file fort.2 coor image col 140 sele .not OLD end atom cros clo uni 2 delete atom sele .not OLD end clo uni 1 read file fort.1 coor image col 100 sele .not OLD end atom cros clo uni 1 delete atom sele .not OLD end key OLD sele all end clo uni 9 read file fort.9 coor image col 220 sele .not OLD end atom cros clo uni 9 delete atom sele .not OLD end key OLD sele all end clo uni 8 read file fort.8 coor image col 165 sele .not OLD end atom cros clo uni 8 delete atom sele .not OLD end key OLD sele all end clo uni 11 read file fort.11 coor image col 114 sele .not OLD end atom cros clo uni 11 delete atom sele .not OLD end return image col 110 sele segm name MOL1 CLUS end bond key image sele image .a .not segm name MOL1 CLUS end return !image col 220 sele .not OLD .a weight 0.01 1000. end bond !image col 200 sele .not OLD end bond image col 220 sele .not OLD end atom name image col 220 sele .not by bond all .a .not OLD end atom cros