Dear Garib Thank you very much as you suggested, I removed SCALE card in the pdb file, then it is running smothly. Rajakumara --- Garib Murshudov <[log in to unmask]> wrote: > It seems that something may be wrong with your input > file. > Specifically with the SCALE card in the pdb file. > Could you please > remove SCALE lines from the pdb and try again. If it > does not help > then could you please send me your pdb file and I > will try to sort out. > > Garib > > On 16 Mar 2009, at 22:43, E rajakumar wrote: > > > Dear All > > I am refining proitein-DNA complex structure in > > Refamac5. When I used coordinate file containing 2 > > bases less, then the refinement is running smoth > and > > perfect. But when I built 2 exta bases to the > existing > > DNA in the coot then refinement is failed with the > > following error message. > > > > /usr/local/ccp4-6.1.0/bin/refmac5 > > > XYZIN"/usr6/rajkumar/APS/hem/mar9/H11112/molrep/BCDNA-built2-NCS- > > > refm2.pdb" > > XYZOUT "/tmp/rajkumar/hemCG_19_2_pdb_1.tmp" HKLIN > > > "/usr6/rajkumar/APS/hem/mar9/H11112/molrep/P6122.mtz" > > HKLOUT "/tmp/rajkumar/hemCG_19_3_mtz_1.tmp" LIBOUT > > > "/usr6/rajkumar/APS/hem/mar9/H11112/molrep/hemCG_19_lib.cif" > > > > has failed with error message > > At line 2486 of file > > /usr/local/xtal/ccp4-6.1.0/src/refmac5_/make_PDB.f > > Fortran runtime error: Bad value during floating > point > > read > > > > It seems there is error in LIB file generation. > > Coordinate format and atom labelling is accoring > to > > refmac convention. > > > > Please can anybody suggest me how do I > trooubleshoot. > > > > Thanking you > > Rajakumara > > > > > > > > > > E. Rajakumara > > Postdoctoral Fellow > > Strcutural Biology Program > > Memorial Sloan-Kettering Cancer Center > > New York-10021 > > NY > > 001 212 639 7986 (Lab) > > 001 917 674 6266 (Mobile) > > > > > > > > Get your preferred Email name! > > Now you can @ymail.com and @rocketmail.com. > > http://mail.promotions.yahoo.com/newdomains/aa/ > > > > E. Rajakumara Postdoctoral Fellow Strcutural Biology Program Memorial Sloan-Kettering Cancer Center New York-10021 NY 001 212 639 7986 (Lab) 001 917 674 6266 (Mobile) Get your new Email address! Grab the Email name you've always wanted before someone else does! http://mail.promotions.yahoo.com/newdomains/aa/