Sorry but i don't understand your answer
What's OBMol and what can it do ?
in fact babel in openbabel don't translate the file completely
it's omits a lot of information.
I don't worried about this
The point is how different and reliable it is
2014-04-15 14:14 GMT-03:00 Dimitri Maziuk <dmaz...@bmrb.wisc.edu>:
> On 04/14/2014 08:51 AM, David Hall wrote:
> > Can you explain what parts of the file are not compatible that you are
> > looking at? Residue numbering? Temperature Factors? Testing briefly, it
> > appears the coordinates agree, so knowing that fields you are looking to
> > preserve would be useful.
>
> SEQRES, temperature factors, the whole header from TITLE to MTRIX... The
> diff is almost 7MB, I don't think you want to look.
>
> IMO even half-way complete conversion is way beyond OpenBabel's job
> description so I wouldn't bother wasting any time on it. Extracting
> OBMol from PDB entry is probably hard enough (e.g. what do you do with
> NMR structure with 50 models and REMARK 210 BEST REPRESENTATIVE
> CONFORMER IN THIS ENSEMBLE : 19,23,42).
>
> --
> Dimitri Maziuk
> Programmer/sysadmin
> BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
>
>
>
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--
Obrigado,
Wellison Gonçalves
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