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:[EMAIL PROTECTED] On Behalf Of Vineet Gaur Sent: Wednesday, February 14, 2007 11:32 AM To: [email protected] 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
