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)
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