ss bridge question

J. Takei bijt at zeus.bris.ac.uk
Sat May 11 09:02:10 EST 1996


Hi XPLORers,

I have a trouble making a right psf file containing a disulfide bridge.
My peptide (monomer) is 26 residue long, and have a Cys at 23. I would
like to make a homodimer crosslinked at 23. In my generate.inp file,
I named two chains (segments) as "a   " and "b   ". This is the patch 
statement for the S-S bridge.

  patch disu
    reference=1=( resid 23 and segid a    )
    reference=2=( resid 23 and segid b    )
   end

, and the error message came as
 
 X-PLOR>  patch disu 
 PATCH>    reference=1=( resid 23 and segid a    ) 
 SELRPN:      0 atoms have been selected out of    850
 PATCH>    reference=2=( resid 23 and segid b    ) 
 SELRPN:      0 atoms have been selected out of    850
 PATCH>   end 
 %PATCH-ERR: atom 1HG   not found
 %PATCH-ERR: atom 1CB   not found
 %PATCH-ERR: atom 1SG   not found
 %PATCH-ERR: atom 2HG   not found
 %PATCH-ERR: atom 2CB   not found
 %PATCH-ERR: atom 2SG   not found
 %PATCH-ERR: bond 1SG   2SG   not found 
 %PATCH-ERR: angle 1CB   1SG   2SG   not found 
 %PATCH-ERR: angle 1SG   2SG   2CB   not found 

. Any help or suggestion will be appreciated.
TIA,

Jiro Takei
Dept of Biochemistry
Univ of Bristol
UK
j.takei at bris.ac.uk




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