Hi Christian, we use openbabel for this kind of thing, I'm sure you'll find the file formats you want to interconvert among the long list it supports: http://openbabel.org/wiki/Category:Formats
Cheers -- Ian On Wed, Aug 17, 2011 at 9:20 AM, Christian Roth < christian.r...@bbz.uni-leipzig.de> wrote: > 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 >
