Re: [ccp4bb]: PDB2CIF (summary)

["Ralf W. Grosse-Kunstleve" <rwgk@yahoo.com>]

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--- Pete <Peter.Burkhard@unibas.ch> wrote:
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> 
> 
> Here is my "success-story" on the conversion of CIF-files to PDB files.
> According to your suggestions I tried the following:

I am sad to say that I am not surprised by your story. However, you might be
able to help yourself if you enjoy programming at least a little bit. Discount
this message immediately if you don't.

There is a robust CIF parser at this URL:

http://anbf2.kek.jp/CIF/

I've used this to read all ~18000 mmCIF files posted at:

ftp://beta.rcsb.org/pub/pdb/uniformity/data/mmCIF/

(Last time I tried this with the mmCIF files from the main PDB server it was
very disappointing; that was several months ago.)

Use PyCifRW to read in your mmCIF files, and write your own subroutines to
generate the PDB files that you want. Since PyCifRW is written in Python this
is very easy compared to many other approaches, at least if you do not become
over-ambitious.

Good luck.

Ralf


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