RE: [PyMOL] why is PyMOL renaming my residues?

2003-10-03 Thread Warren L. DeLano
> >Also note that by some conventions, "2OA2" in a PDB file really means > >atom "OA22". > > > I didn't know that. What conventions are those? Well, PDB atom names are supposed to have the atomic symbol right justified in the first two columns followed by a remoteness indicator and then a branchi

Re: [PyMOL] why is PyMOL renaming my residues?

2003-10-02 Thread michael lerner
Hi Warren, PyMOL's PDB handling is an attempt to navigate a minefield of incompatible standards which exist in the conventions of various software packages. Ugh. I know more about incompatable PDB files than I ever wanted to. I once wrote something much like Andrew Dalke's UPDB (see

RE: [PyMOL] why is PyMOL renaming my residues?

2003-09-26 Thread Warren L. DeLano
Michael, PyMOL's PDB handling is an attempt to navigate a minefield of incompatible standards which exist in the conventions of various software packages. Amber in particular poses significant challenges, as its PDB files are unusual. Since version 0.90, PyMOL's behavior has chan