# DrYes Jan 2009


DefPropAtom 'current' 'selected'
DefPropRes 'current' 'selected'

#SelectAtom '' 
#SelectBond '' 
#SelectAngle '' 
#SelectDist '' 
#SelectPrim '' 
#StyleAtom invisible 
#StyleBond invisible 

SelectRes 'current & :GLU*' 
ChangeRes atoms 'GLU-' 
SelectRes 'current & :ASP*' 
ChangeRes atoms 'ASP-' 
SelectRes 'current & :HI*' 
ChangeRes atoms 'HIS+' 
SelectRes 'current & :ARG*' 
ChangeRes atoms 'ARG+' 
SelectRes 'current & :LYS*' 
ChangeRes atoms 'LYS+' 

SelectAtom 'current' 
XMacStand pdb_charge.mac
DrawPrec 3 2 

SelectAtom 'current & heavy'
CalcPot vdw simplecharge 2 80 1.4 0.3 2 10 zero 'numan_gen.pot'
AddSurface vdw contact 1.4 shaded 0
ReadPot numan_gen.pot
PaintSurface pot 0.0 1.4 0.2 3  '-1.0 1 0 0 0.0 1 1 1 1.0 0 0 1' 

SelectAtom 'current'