Hi Marko, For the order of the atoms, check if "retain_order" is set to 1; if not, use "set retain_order, 1" before importing your PDB file. For the rest of your problem, what exactly is being changed from the imported PDB file and the saved one? Apart from the addition of TER, which is a fairly trivial problem to solve.
Best regards, Rui Le 28/11/2016 10:41, Marko Sever a écrit : > Hello everybody, > > I'm working with a protein-protein complex and am fixing some stuff. > > When I save the fixed complex as a pdb the PDB format is not the same as it > was in the imported pdb files (there it was the same as the CHARMM default > pdb format). > > In the saved pdb it changed the line position of atoms in the pdb file. > Residues are ok but atoms in a given residue are mixed up. It also added > addition TER's which I had to manually delete. > > So how would I specify the output PDB format to be the same as in the > original imported pdbs (before manipulation), so same as CHARMM pdb format. > > Please help, > > Marko > ------------------------------------------------------------------------------ > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net ------------------------------------------------------------------------------ _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
