############################################################# # Pdb_to_Arc.bcl it does pdb --> *car --> *arc # # usage: first source it with Viewer/File/Source_file # then use it under the Viewer/Custom pulldown. ############################################################# define_macro PDB_to_Arc \ Lstring Ligand_Root_Name \ int Start_Frame \ int End_Frame int index Biopolymer foreach $index from $Start_Frame to $End_Frame get Molecule PDB User ("./tlg2pdb_dir/"//$Ligand_Root_Name//$index//".pdb") TEMP -Heteroatom -Reference_Object Potentials Accept -Print_Potentials Accept -Print_Part_Chargs Accept temp Put Molecule Biosym temp ("./tlg2pdb_dir/"//temp//$index) -Transformed -Displayed -PBC_File delete * end BCL_Unix "nawk -f /usr/local/autodock/car2arc.awk ./tlg2pdb_dir/temp*.car > autodock.arc" BCL_Unix "rm -f ./tlg2pdb_dir/temp*" End_macro Add_to_pulldown PDB_to_Arc custom