subroutine char SEGMENTS dele atom sele segm name NEW #* end ! delete atom sele segm name HELP ORIG end ! read file help_3ang_2.pdb coor pdb ! read file help_3ang_2.ctab ctab first sele segm name HELP end ! set vari WORK_SEGM char glob = HELP set vari MAP_TARG = map_to set vari WALK_STEP = 1.42 * 1.1 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 rena segm HELP sele segm name WORK_SEGM end key OLD sele all end symm sele segm name HELP .a ctab 3 100 end matr 1 tran 0 0 0 make ct ini sele segm name #* end rena atom C0 sele segm name #* end make segm sele segm name #* end from atoms rena segm NEW sele .not OLD end rena resi SP2 sele segm name NEW end set vari WORK_SEGM char glob = NEW < ?MAIN_UTILS:fill_atoms.com NEW !set weight sele segm name NEW end = 1.0 set clas sele segm name NEW .a .not clas name SP2 SP3 end = HELP find residue sele segm name NEW end sele segm name HELP .a ctab 3 1000 end \ map map_to root C0 side C1 list "SP2 SP3 SP3R" fit dele atom sele segm name HELP end find residue sele segm name NEW end sele segm name NEW end \ root C0 map map_to merge step WALK_STEP del set weight sele segm name NEW end = 1.0 key XX_KEY drop rena segm HELP sele segm name NEW end set vari WORK_SEGM char glob = HELP dele atom sele segm name HELP .a map map_to -1000. map_cont - 0.2 end delete atom sele segm name WORK_SEGM .a .not by bond all end