* MMFF input to read protein structure and * create MERCK file * bomblev -1 ! Set up MMFF ! =========== stream mmff_setup.str ! Read Parameter and Topology from system file ! -------------------------------------------- OPEN UNIT 10 CARD READ NAME top_all22_prot_mmff.inp READ RTF CARD UNIT 10 CLOSe unit 10 !obtain sequence information from pdb file open unit 20 read form name asv_charmm.pdb read sequ pdb unit 20 generate core first glyp last cter setup warn !rewind coordinate file and obtain coordinates rewind unit 20 read coor pdb unit 20 !build missing atoms ic para ic build !write MERCK format file open unit 20 write form name asvin.mrk write merck unit 20 * asvin in merck format * stop