{+ 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 3.00 deg 												   *}
{*																		   *}	
{*	Note:  wa_scale is updated by PMB_REFINE using the -s flag. Manualy    *}
{*		reset it to 1.000 when starting a new refinement                   *}
		   
{PMB_BONDS===>} bond_trgt=0.022;
{PMB_SCALE===>} wa_scale= 1.000;


{* 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 (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;
  
) {- end block parameter definition -}