Dear all,
I want convert a small molecule cif into pdb. Unfortunately coordvonv failed
with the following error message:
CCP4I TERMINATION STATUS 0 "At line 537 of file
/usr/local/xtal/ccp4-6.1.3/src/coordconv.f Fortran runtime error: Bad value
during floating point read
I am able to read the file with pymol and see the structure, unfortunatley one
cannot isolate chains or atoms. Some atoms exists twice and if one delete it
in Coot one delete always more than one atom and that is not what I want.
Does anyone know a good programm to deal with cif file or to convert it
properly in a format?
Thanks in advance
Christian
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