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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