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Yes, this script should work. You can also use OUTPUT CNS. But the GUI is not up-to-date with the program. This is fixed now. You can pick up fixes via the Problems Page http://www.ccp4.ac.uk/problems.php#6.0.2-export-hl or it will be in the next release. Tip for newbies: you can always get around deficiencies in the GUI with Run->Run&View Com File Thanks also to Bernie Santarsiero who had already alerted us to this problem. Cheers Martyn On Wed, 2007-02-14 at 12:10 -0800, Kumar, Abhinav wrote: > Hi Vineet, > > > > The following script should output the required CNS data file: > > > > mtz2various hklin Fobs.mtz HKLOUT Fobs.xpl << EOL > > LABIN FP=FP SIGFP=SIGFP FREE=FreeR_flag HLA=HLA HLB=HLB HLC=HLC > HLD=HLD > > OUTPUT XPLOR > > END > > EOL > > > > Thanks > Abhinav > > > > > > ______________________________________________________________________ > From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of > Vineet Gaur > Sent: Wednesday, February 14, 2007 11:32 AM > To: [log in to unmask] > Subject: [ccp4bb] mtz to hkl conversion > > > > > Hi all > > > i am trying to solve a structure using MIR by solve/resolve. With > Solve/Resolve i have got FOM of 0.70 (3.3A) after density modification > n we have got reasonable model as well, but most of it is without side > chain. using this model we have determined the NCS rotation n > translation matrices but we r not able to utilize the NCS information > fully with solve/resolve n thus we have decided to shift to CNS. > while shifting to CNS i need to convert mtz file to hkl format. i m > using mtztovarious option of ccp4 for format conversion but in doing > so the information related to HL coeff, which is there in MTZ file as > well as the information abt FOBS and SIGMA is getting lost. > is there any other other way of converting mtz file to hkl while > retaining all the necessary information? > > > > > > Although i have native data up to 2.2A but i m unable to extend the > phases beyond 3.0 with reasonable FOM. Is there any programme for > model building which can work at resolution as low as 3.0. > > > > thanks in advance > > > vineet gaur > >