DEF 12:20 25/Jul/12 cowtan 0.0.1 buccaneer_build_refine_mr CObsDataFile True False True CPhsDataFile True True False F_SIGF CPhsDataFile True True True F_SIGF CPhsDataFile True False True F_SIGF CFreeRDataFile True False True F_SIGF CSeqDataFileList 1 True True False CPdbDataFile 4,1,0 1 True True CPdbDataFile CPdbDataFile CPdbDataFile True True True False 2,0 2 CDictDataFile application/refmac-dictionary Refmac monomer dictionary Dictionary describing the geometry of any ligands or linkages. You can use the Make ligand task to generate a dictionary. Refmac dictionary cif True True True True CPdbDataFile 1,0 1 True True CPdbDataFile CXmlDataFile CMapCoeffsDataFile 1 1 CMapCoeffsDataFile 2 1 CPhsDataFile CModelBuildPerformance CBoolean False Here you may input a higher-resolution restraint target against which external restraints will be generated. CBoolean False Build MSE rather than MET CFloat 0.40 4 Use this option to prevent fitting against a potentially misleading map CFloat 0.35 4 Discard experimental phases if model phases are already much better CBoolean False CInt 3 50 CFloat 0.02 CBoolean True CBoolean False CBoolean False CString True nothing else,seed chain growing,provide initial model nothing,seed,initialmodel seed CString True molecular replacement , experimental phasing mr,experimental mr CFloat 1.0 True 3 0.0 10.0 CFloat 2.0 True 3 0.0 10.0 CObsDataFile True True False CPhsDataFile True True False CPdbDataFile True True False CInt 5 1 1 CInt 20 3 1 CInt 1 1 3 CInt 1 1 2 CBoolean True CBoolean False CBoolean True CBoolean CBoolean False CFloat 2.0 3 10.0 0.4 CFloat 1.0 0.75,0.9,0.95,0.98 0.5 CString UNK CInt 2 1 CInt 0 CString True coot_stepped_refine,coot_fit_residues,coot_script_lines,coot_add_waters,none stepped refine,fill and fit,custom script,add waters,nothing none CBoolean True CString # Input molecules are given internal identifiers "MolHandle_1" etc" # Input maps are given internal identifiers "MapHandle_1" etc" # Input difference maps are given internal identifiers "DifmapHandle_1" etc" # # The appropriate place to put output pdb files to be picked up by the system # is stored in the variable dropDir # # For example, the following script will carry out fit residues followed by stepped refinement # and write the result into a file that will be available in the project. #Beware spaces...this is python after all # fit_protein(MolHandle_1) stepped_refine_protein_for_rama(MolHandle_1) write_pdb_file(MolHandle_1,os.path.join(dropDir,"output.pdb")) CString 20 Residues to carry through from input coordinates CBoolean False CString # Replace this with optional additional keyword input CInt None 0