Re: [ccp4bb] How to automatically answer "NO" to SFTOOLS reading in a shell script?
GOt it! Thanks! Best REgards, Hailiang > 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 >> >> > > -- > > > > Bart Hazes (Associate Professor) > Dept. of Medical Microbiology& Immunology > University of Alberta > 1-15 Medical Sciences Building > Edmonton, Alberta > Canada, T6G 2H7 > phone: 1-780-492-0042 > fax:1-780-492-7521 > > > > >
Re: [ccp4bb] How to automatically answer "NO" to SFTOOLS reading in a shell script?
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 -- Bart Hazes (Associate Professor) Dept. of Medical Microbiology& Immunology University of Alberta 1-15 Medical Sciences Building Edmonton, Alberta Canada, T6G 2H7 phone: 1-780-492-0042 fax:1-780-492-7521
[ccp4bb] How to automatically answer "NO" to SFTOOLS reading in a shell script?
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
