[PyMOL] saving cif files and atom numbering

[Pascal A. <p.a...@ib...>]

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


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Pascal Auffinger
IBMC/CNRS
15 rue René Descartes
67084 Strasbourg Cedex

p.a...@ib... <mailto:p.a...@ib...>
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