Yes, you are correct, mtz_to_cns is calling up mtz2various. I have tried many alternatives for the label for Rfree flag with no success. I have also tried just asking for F and SIGF, and the output does not contain Rfree. The next step would be to use make_cv.inp to generate a test test. I want to ensure I have my original test set carried over and do it simply from the command line. The program works perfectly fine within the CCP4 GUI.
If no command line option is found, that is ok. I just want to ask everyone to see if it was do-able. Thanks again! Kelly Daughtry ******************************************************* Kelly Daughtry, Ph.D. Post-Doctoral Fellow, Raetz Lab Biochemistry Department Duke University Alex H. Sands, Jr. Building 303 Research Drive RM 250 Durham, NC 27710 P: 919-684-5178 ******************************************************* 2011/4/27 Bjørn Panyella Pedersen <bj...@msg.ucsf.edu> > mtz_to_cns calls mtz2various as far as I know. > If mtz2various works for you then you can use it directly. It too can be > run from the commandline. Look for the 'View Files from Job' --> 'View > Command Script' in the GUI to get help on syntax or look at the website > under examples (http://www.ccp4.ac.uk/html/mtz2various.html). > > hth > -Bjørn > > -- > Bjørn Panyella Pedersen > Macromolecular Structure Group > Dept. of Biochemistry and Biophysics > University of California, San Francisco > > > > On 2011-04-27 09:58, Kelly Daughtry wrote: > >> Hello all, >> I am been unsuccessful in converting my mtz file into cns format and >> bringing along my R-free reflections. >> >> The interwebs tells me that the label should be FREE=label >> >> So, on the command line I type: >> mtz_to_cns hklin hklout F=F-obs SIGF=SIGF-obs FREE=R-free-flags >> >> Yet I am always returned with an error that the label FREE is not >> recognized. >> >> I am able to run mtz2various in ccp4 using the GUI just fine with >> selecting my R-free flag. The log file of that shows that the R-free >> label is indeed FREE. >> >> Thus, I am confused. How can I get this to run from the command line (so >> I don't always have to open the GUI for one task). >> >> Thanks in advance for any help you can provide! >> >> Kelly Daughtry >> >> ******************************************************* >> Kelly Daughtry, Ph.D. >> Post-Doctoral Fellow, Raetz Lab >> Biochemistry Department >> Duke University >> Alex H. Sands, Jr. Building >> 303 Research Drive >> RM 250 >> Durham, NC 27710 >> P: 919-684-5178 >> ******************************************************* >> > > > >
