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WW,
2 ways to get to the scalepack2mtz:
1- (most direct) go to program list and then scroll down to Scalepack2mtz
program.
2- go to Data Reduction, then select Import Merged Data and select [from]
Scalepack (Denzo).
Now about scripting, not sure about that. Someone else will have to help
you. But, from my little experience, I know you can play with many of the
parameters within the Scalepack2mtz window, so you might try that first.
Hope this helps a bit. Best of Luck!
Cheers,
Nick
----- Original Message -----
From: "Witold Witkowski" <[EMAIL PROTECTED]>
To: <[email protected]>
Sent: Monday, May 01, 2006 3:42 PM
Subject: [ccp4bb]: Scripting in windows
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Hello All,
I'm new to this game, so go easy on me.
Running CCP4i on a Windows XP (SP2) machine
I'm trying to use scalepack2mtz in the interactive version and I cannot
find
it.
Also, is there way to use scripting in Windows?
(Something like the following)
scalepack2mtz hklin my_data.sca \
hklout $CCP4_SCR/junk1.mtz <<eof
symm 18 # this is your space group
end
eof
# convert Is to Fs.
truncate hklin $CCP4_SCR/junk1.mtz \
hklout $CCP4_SCR/junk2.mtz <<eof
title My xray data
truncate yes
nresidue 149
labout F=FOBS SIGF=SIGF
eof
# get correct sort order and asymmetric unit
cad hklin1 $CCP4_SCR/junk2.mtz hklout my_data.mtz <<eof
labin file 1 ALL
sort H K L
end
eof
Thanks in advance!
