Hi Hailiang
sftools was first and foremost designed to be used interactively, that
is why it tends to follow a question and answer user interface. Of
course you can use sftools in scripts but if it pops up a question that
was not anticipated, the script it will crash. There could be a batch
mode where you give sftools permission to make a best guess but guessing
can be dangerous.
In your particular case, XPLOR uses a flag=1 for rfree reflections and 0
for working set reflections while CCP4 MTZ by default uses a flag=0 for
rfree reflections and non-zero for working set reflections. If sftools
encounters an mtz that appears to use the XPLOR definition it gives a
warning and suggests to convert to the CCP4 definition.
For proper MTZ files this should not happen and if it does happen maybe
you should find out why.
Bart
On 10-09-02 02:00 PM, Hailiang Zhang wrote:
Hi,
I am reading a ccp4 mtz file using SFTOOLS. It asked me" Is this an XPLOR
RFREE flag column?". First I assume the answer is NO, since the input is a
CCP4 mtz file although the colume is for free-flags. Then, I am wondering
what is the script to automatically answer "NO" in a shell script.
Thanks!
Best Regards, Hailiang
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Bart Hazes (Associate Professor)
Dept. of Medical Microbiology& Immunology
University of Alberta
1-15 Medical Sciences Building
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Canada, T6G 2H7
phone: 1-780-492-0042
fax: 1-780-492-7521
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