Hi Pascal,
we have implemented basic cif export (only atom table and symmetry header for now), this will be available in the next PyMOL release. The cif export code is already in the open-source repository, so if you need it urgently or want to test it, you could compile from source.
To preserve atom order between load/save, use the retain_order setting:
http://pymolwiki.org/index.php/Retain_order
Cheers,
Thomas
On 13 Nov 2014, at 04:42, Pascal Auffinger <p.a...@ib...> wrote:
> Hello,
>
> I was wondering if there is a way to save CIF files with pymol.
> We need this for the large ribosomal PDB files that
> are available in the PDB as “split” files (PDB format) or .cif files
> (for example 4u3u.cif).
>
> As a related issue, if we load a large cif file (more than 99999 atoms
> and two letter chain codes), we can save this file as a PDB file,
> ideally, the line number in the PDB file could correspond to
> the atom number in the cif file but the ordering of the atoms in the
> .cif file differs from that of the output PDB file (the chain code
> is correctly written in the SEGID column).
> Any clue on how to solve these issues ?
>
> Thanks a lot,
>
> Pascal
>
>
> -----
> Pascal Auffinger
> IBMC/CNRS
> 15 rue René Descartes
> 67084 Strasbourg Cedex
>
> p.a...@ib...
> -----
--
Thomas Holder
PyMOL Developer
Schrödinger, Inc.
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