key XX_KEY sele segm name NEW end dele atom sele segm name NEW .a .n weigh 0.1 1.1 end dele atom sele segm name HELP .a around key XX_KEY dist 1.3 end dele atom sele segm name HELP .a ( .n by bond all .o atom name H* ) end rena segm HELP sele segm name NEW end calc bond sele segm name HELP end set weight sele segm name HELP end = 1.0 set vari WORK_SEGM char global = HELP