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[ccp4bb]: Summary: Error in Protin



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Hi all!

And many thanks to all who replied to my mail.  Many suggested that I
should inculde my script, so here goes:

******************
protin xyzin my.pdb protout my.dat\
      protcount my_c.dat << eof

title my title 
CHNNAM ID A CHNTYP 1 ROFFSET 0 
CHNNAM ID B CHNTYP 1 ROFFSET200 
CHNTYP 1 NTERM 1 ALA 3 CTERM 314 ALA 2 
NONX 2 CHNID A B NSPANS 1 201 314 1 
SYMME 20 
end 
eof 
******************
(The roffset was set 200 because 2nd chain is numbered from 201 to 314)
Now the scrpit was 'similar' to that suggested by many but with a problem.

The problem, was in the NONX statement.

Because of ROFFSET to 200, it should have read:

"NONX   2 CHNID A B NSPANS 1 1 114 1" 

after which it worked fine.

Thanks to Dr. Dodson, Jan Abendroth, Phraenquex, Laurent Maveyraud and
the others for help in correcting the script.

Bhupesh.

P.S.  A second suggestion (Jan Abendroth, Laurent Maveyraud) was to go for
Refmac5