{+ These parameters superseed any values entered into your INP files +}
 
{+ begin block parameter definition +}
define(

{* PMB (c) 2003 MAW -- Stereo Chemistry Optimization ----------------------*}
{*     This scale factor optimizes the x-ray weight (wa) to                *}
{*     yield bond and angle rmsd equivalent to Engh & Huber values.  The   *}
{*     optimal Engh & Huber bond rmsd is 0.022 A and the optimal omega     *}
{*     angle rmsd is 5.5 deg                                               *}
{*                                                                         *}	
{*     Note:  wa_scale is updated by PMB_REFINE using the -s flag. Manualy *}
{*            reset it to 2.000 when starting a new refinement             *}
		   
{PMB_BONDS===>} bond_trgt=0.022;
{PMB_SCALE===>} wa_scale= 2.000;


{* Uncomment these parameters if you want to make them UNIVERSAL. *}
{* Otherwise edit them in the individual INP files.               *}

!PMB {NCS_DEF===>} ncs_infile="NCS.def";

{#PMB# -------- HYDROGEN BONDING NETWORK RESTRAINTS (-b flag)  ---------  #PMB#}
{*      This should be used with low resolution data to restrain the backbone *}
{*      phi psi angles (secondary structure) based on the hydrogen-bonding    *}
{*      network. Edit the restraint file manually or use pmb_hbonds.pl        *}
!PMB {PMB_HBOND===>} pmb_hbond_infile="pmb_hbonds.def";

{* PMB (c) 2004 MAW - BVSIG an improved bfactor model  ----------------*}
{* BVSIGma values may vary from 3 to 5 depending on data quality.      *}
{* Smaller values of BVSIma will yield smaller variation in B-factors. *}
{* The optimal BVSIGma value is 4.0.  If bvsig_scale <0 then fixed     *}
{* B-factor restraints will be used.                                   *}
{+ SigmaB target +}
!PMB {BVSIG_TARGET===>} bvsig_scale=4.0;
 
{* solvent B-factor ------------------------------------ *}
{* Set this to WILSON <B> for LOW RESOLUTION refinements *}
!PMB{===>} sol_b=70;

) {- end block parameter definition -}