Re: [ccp4bb] mtz2various command line R-free label?

2011-04-29 Thread Eleanor Dodson
I dont know - it works for me.. That is under Fedora x Eleanor mtz2various HKLIN ./ins_pig_zn_T2_hex-unique_refmac1.mtz HKLOUT ./ins_pig_zn_T2_hex-unique_refmac1.hkl OUTPUT CNS labin FP=FP SIGFP=SDFP PHIB=PHIC FREE=FreeR_flag end On 04/27/2011 07:26 PM, Kelly Daughtry wrote: Yes, you

[ccp4bb] mtz2various command line R-free label?

2011-04-27 Thread Kelly Daughtry
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

Re: [ccp4bb] mtz2various command line R-free label?

2011-04-27 Thread Bjørn Panyella Pedersen
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

Re: [ccp4bb] mtz2various command line R-free label?

2011-04-27 Thread Kelly Daughtry
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

Re: [ccp4bb] mtz2various command line R-free label?

2011-04-27 Thread Ian Tickle
Hi Kelly How about the 'echo-pipe' syntax, e.g.: echo 'outp xplor\nexcl sigp .01\nlabin FP=F-obs SIGFP=SIGF-obs FREE=R-free-flags' |mtz2various hklin in.mtz hklout out.mtz (all on 1 line). Any CCP4 program can be run from the CL in exactly the same way, i.e. separate the program input lines