Reply – Re: problem with sdf->pdb conversion
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Re: problem with sdf->pdb conversion
— by Vincent Favre-Nicolin-2 Vincent Favre-Nicolin-2
[Please answer to the ML so that all can help]

On lundi 02 juin 2008, Roni Gordon wrote:
> Sorry -- using OB v2.1.1 with the following commands:
> openbabel -isdf library.sdf -omol output.mol -f 36 -l 36
> openbabel -isdf library.sdf -opdb output.pdb -f 36 -l 36
> Unfortunately, I can't disclose the contents of the SDF file, it has
> thousands of compounds.

  Could you extract a sub-file with just a few structures so that we can
reproduce the problem ?
  And as Geoff mentioned - what do you mean by "quite incorrect" - wasn't the
original data 2D ?
Vincent Favre-Nicolin
Université Joseph Fourier
ObjCryst & Fox :

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