REMARK X-PLOR script to convert X-PLOR methylene hydrogen names to the
REMARK the naming convention adopted by DIANA
REMARK Author: Michael Nilges, EMBL
REMARK version 2, 18. 4. 1996

{****
methylene:
a: gly
b: ser cys asn gln glu asp tyr phe trp his arg lys pro met leu 
g: gln glu arg lys pro met 
g1: ile
d: pro lys arg
e: lys
****}


{* alpha *}  
ident (store1) (resn gly and name ha%)
do (name =  AAA) (store1 and name ha1)
do (name =  HA1) (store1 and name ha2)
do (name =  HA2) (store1 and name AAA)
  
{* beta *}  
ident (store1) 
((resn ser or resn cys or resn asn or resn gln or resn glu or resn asp 
   or resn tyr or resn phe or resn trp or resn his or resn arg or resn lys 
   or resn pro or resn met or resn leu)
and name hb%)
do (name =  HB3) (store1 and name hb1)
  
{* gamma *}
ident (store1) 
((resn gln or resn glu or resn arg or resn lys or resn pro or resn met)
and name hg%)
do (name =  HG3) (store1 and name hg1)

{* gamma1 *}
ident (store1) (resn ile and name hg1%)
do (name = HG13) (store1 and name hg11)

{* delta *}
ident (store1) ((resn arg or resn pro or resn lys or resn asn) and name hd%)
do (name =  HD3) (store1 and name hd1)

{* epsilon *}
ident (store1) (resn lys and name he%)
do (name =  HE3) (store1 and name he1)


{****
methyl:
b: ala
g1: val
g2: val ile
d1: leu ile
d2: leu
e: met
z: lys
****}

{* beta *}
ident (store1) (resn ala and name hb%)
do (name =  BBB) (store1 and name hb2)
do (name =  HB2) (store1 and name hb1)
do (name =  HB1) (store1 and name BBB)

{* gamma1 *}
ident (store1) (resn val and name hg1%)
do (name = GGGG) (store1 and name hg11)
do (name = HG11) (store1 and name hg12)
do (name = HG12) (store1 and name GGGG)
  
{* gamma2 *}
ident (store1) ((resn ile or resn val) and name hg2%)
do (name = GGGG) (store1 and name hg21)
do (name = HG21) (store1 and name hg22)
do (name = HG22) (store1 and name GGGG)

{* delta1 *}
ident (store1) ((resn ile or resn leu) and name hd1%)
do (name = DDDD) (store1 and name hd11)
do (name = HD11) (store1 and name hd12)
do (name = HD12) (store1 and name DDDD)

{* delta2 *}
ident (store1) ((resn leu) and name hd2%)
do (name = DDDD) (store1 and name hd21)
do (name = HD21) (store1 and name hd22)
do (name = HD22) (store1 and name DDDD)

{* epsilon *}
ident (store1) ((resn met) and name he%)
do (name =  EEE) (store1 and name he1)
do (name =  HE1) (store1 and name he2)
do (name =  HE2) (store1 and name EEE)

{* zeta *}
ident (store1) ((resn zeta) and name hz%)
do (name =  ZZZ) (store1 and name hz1)
do (name =  HZ1) (store1 and name hz2)
do (name =  HZ2) (store1 and name ZZZ)


{****
arg nh2's
****}

ident (store1) ((resn arg) and name hh1%)
do (name = HHHH) (store1 and name hh11)
do (name = HH11) (store1 and name hh12)
do (name = HH12) (store1 and name HHHH)

ident (store1) ((resn arg) and name hh2%)
do (name = HHHH) (store1 and name hh21)
do (name = HH21) (store1 and name hh22)
do (name = HH22) (store1 and name HHHH)