Re: CCL:question about the output file babel

[Rick Venable <rvenable~at~pollux.cber.nih.gov>]

 I've observed the same thing for other conversions to PDB using various
 versions of Babel, in that most of the identifying info is lost, esp.
 atom and residue name.  I've stopped using Babel, largely for this
 reason.  It was easier to write a quick conversion program specific to
 the task at hand.
 On Sun, 5 Oct 2003, Ru-Zhen Li wrote:
 > I converted one Accelrys .car file into .pdb file with babel16, but
 > the output file is quite strange, it is not the same as the pdb file
 > from Protein Data Bank, for eg:
 >
 > 1. the atom name is just one character
 > 2. the forth column of the coordinate of the atoms should be the
 > residue the atom belongs to, but all the name of the residue in the
 > output file is UNK.
 >
 > can anyone tell me why?
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 Rick Venable           29/500
 FDA/CBER/OVRR Biophysics Lab
 1401 Rockville Pike    HFM-419
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 (301) 496-1905   Rick_Venable~at~nih.gov
 ALT email:  rvenable~at~speakeasy.org
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