[PyMOL] Atom Ordering when Saving

2003-05-17 Thread Robert Havlin
I was curious how I might prevent Pymol from re-ordering the atoms when saving to a pdb file. I am using a .pml script to output a large number of peptide files for use in gaussian, but I need to preserve the atom order in the output file. I am not a python expert, but it seems like it should b

RE: [PyMOL] Atom Ordering when Saving

2003-05-17 Thread Warren L. DeLano
Hi Robert, Actually, PDB atom ordering is deep inside the C core. I just glanced at the code...it should be possible to add this capability, but it is not a trivial task. There's currently no way to force PyMOL to do this, and it may or may not make it into the next version. For