##### ##### ##### Parameter File for DireX 0.7 ##### ##### # Number of structures to generate nsteps = 100 ##### ##### ##### DEFORMABLE ELASTIC NETWORK (DEN) ##### ##### # Use DEN (yes/no) use_den = yes # Generate DEN restraints only between CA atoms. den_ca = no # Number of (randomly chosen) elastic restraints # as multiple of number of atoms. (Default: 2.0) den_no_ratio = 2.000000 # Strength of elastic potential (0.0-1.0) den_strength = 0.400000 # Upper distance bound in (Ang) den_upper = 15.000000 # Lower distance bound in (Ang) den_lower = 3.000000 # DEN restraints only between atoms within # given residue range. # A negative value switches off the range # limitation. den_resid_range = -1 # Number of steps during which the DEN restraints are # scaled down from 1 to 0 den_damp_restraints = 40 # Weight initial structure and experimental data # 0 means the network moves only towards the reference model. # 1 means the network does not use reference information at all. # (0.0-1.0) den_gamma = 0.000000 # Damping of the deformation of the elastic # network (0.0-1.0) # low/high value means high/low damping den_kappa = 0.200000 # Beyond this distance difference the force # is constant (in Ang) den_const_dist = 2.000000 # DEN restraint breaks if distance difference is larger # than this value (in Ang) den_break_dist = 4.000000 # DEN strength depends on secondary structure # if not defined, then this will be used when a # secondary structure file is read with -secstr # den_strength will be scaled by this factor for loop # residues. Secondary structure must be read with # -secstr option. den_secstr_loop = 1.000000 # den_strength will be scaled by this factor for # sidechains den_sidechain = 1.000000 ##### ##### ##### ELECTRON DENSITY MAP ##### ##### # Strength of electron density map restraints map_strength = 0.030000 # Resolution interval (in Ang) used for model refinement cur_map_dmin = 5.000000 cur_map_dmax = 99999.900000 # Resolution interval (in Ang) used for cross-validation # (If map_cv_dmax <=0, it is automatically set to cur_map_dmin) map_cv_dmin = 4.000000 map_cv_dmax = 5.000000