Re: [ccp4bb]: CIF2PDB ?

[Roberto Steiner <steiner@ysbl.york.ac.uk>]

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On Wednesday 07 Aug 2002 12:06 pm, Pete wrote:
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>
> Hello,
>
> I have kind of a funny problem: I retrieved a structure file from the
> Cambridge Database in CIF format - but I cannot get it into the PDB
> format. I tried:
> - CIFTr (from http://pdb.rutgers.edu/mmcif/). Gives a run time error.
> - CIF2PDB (from
> http://www.bernstein-plus-sons.com/software/cif2pdb/DISCUSS.cif2pdb.html)
> doesn't compile properly - at least in my hands.
>
> Are there any other conversion programs? I hardly can belive that we have
> such a big compatibility problem between small - and large molecule
> crystallography. Actually, aren't we supposed to switch to (mm)CIF anyways
> sooner or later ??
>
> Help is highly appreciated
>

Only a work-around if you need your pdb fast: download your file from the CSD 
in another format (let's say CSD FDAT) and use Babel (not sure Babel converts 
directly from mmCIF) 
You can get it from ftp://ccl.osc.edu/pub/chemistry/software/UNIX/babel. There 
should be also a Windows version.

Roberto

> Pete
> ________________________________________________________________________
>
> PD Dr. Peter Burkhard
> M.E. Müller Institut (MSB)
> Klingelbergstr. 70
> CH-4056 BASEL, Switzerland
>
> Phone:  ++41 61 267 20 91
> Fax:    ++41 61 267 21 09
> E-mail: Peter.Burkhard@unibas.ch
> Web:    http://www.biozentrum.unibas.ch/burkhard

-- 
Roberto A. Steiner
York Structural Biology Lab, Department of Chemistry
University of York, Heslington, York, YO10 5DD, U.K.
Tel:  (+44) 1904 434531
Fax: (+44) 1904 410519