Re: [ccp4bb]: CIF to PDB

["Feng Xue" <feng@wistar.upenn.edu>]

***  For details on how to be removed from this list visit the  ***
***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***

Joao,

If you are sure it's a CIF file, CIF2PDB
(http://www.iucr.org/iucr-top/cif/software/cif2pdb/) probably will help;

If you retrieved the data as CSD CSSR or FDAT file, BABEL
(http://www.eyesopen.com/babel.html) is the versatile tool for format
converstion.

Regards,
XF

----- Original Message -----
From: "Joao Barbosa" <joao@bri.nrc.ca>
To: "ccp4 Bulletin Board" <ccp4bb@dl.ac.uk>
Sent: Tuesday, May 08, 2001 4:32 PM
Subject: [ccp4bb]: CIF to PDB


> Hi,
>
> I am trying to convert a CIF file into PDB. The file was extracted from
the
> Cambridge database. I am using coordconv, but it is not working (see
below). I
> am also not sure if CSD and CIF are the same thing. Can anyone help me
with this
> translation?
>
> Thank you, joao.
>
> coordconv xyzin nad_csd.cif xyzout nad_csd.pdb << eof > coordconv.log
> input csd
> output pdb orth 1
> cell 8.643 8.857 11.184 109.74 90.76 103.43
> end
> eof
>