Hi Rajkumar, Few days back similar problem was happening to me also.
I just changed the version of Coot and it worked. In my case only Coot (ver. 4.1) was doing the job correct. Please try Coot (version 4.1) in case you are using any of other versions. HTH, Y On Mon, Mar 16, 2009 at 11:43 PM, E rajakumar <e_rajaku...@yahoo.com> 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/ > -- ***************************************************** Present Address: Yusuf Akhter, DAAD Fellow EMBL Hamburg c/o DESY, Notkestraße 85, 22603 Hamburg, Germany Mobile: +49-17676339706 ****************************************************
