Sébastien,
PyMOL doesn't do this, in part because atoms in any given PDB file output from PyMOL could in principle derive from any loadead structure, from more than one structure, or be completely made up, and we wouldn't want incorrect or conflicting meta information out there polluting the net. Nevertheless, at present, PyMOL cannot even support the use case where all of the output atoms are indeed derived from a single PDB file with associated headers. Thus, you will need to transfer them manually. Cheers, Warren ________________________________ From: Sébastien Conilleau [mailto:sconill...@chimie.u-strasbg.fr] Sent: Tuesday, January 20, 2009 7:56 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] writing pdb files with headers Hi, I noticed that pymol omits the headers (I mean the 5 first line) when you try to write a pdb file. At this point I do it using this command line in my script : > cmd.save(newName+".pdb","tmp") Is there an implemeted way to avoid this behaviour or do I have to play around with files ? Thanks -- Sébastien Conilleau, PhD UMR CNRS 7177 Laboratoire d'Infochimie Université Louis Pasteur 4, rue Blaise Pascal 67008 Strasbourg Cedex, France Tel : +(33)3-90-24-15-63
