Miguel wrote: > > Hens, > > I took a look at the atom numbering in RasMol. > The heart of the Chime code is based upon RasMol ... so they will be the > same. > > Here is what I found out about the atom numbering: > with .pdb files the atom number is the number in the file > with .mol files the atom numbering starts with 1 > with .xyz files the atom numbering starts with 0 > > I am *not* happy about this :-( > > Will advise. > > Miguel
My advise: start numbering with 1, whatever the format. The number of people that use numbering of XYZ files in a Chime script is rather limited, I suspect. Once the migration has taken place, we have at least a consistent system. Hens ------------------------------------------------------- This sf.net email is sponsored by:ThinkGeek Welcome to geek heaven. http://thinkgeek.com/sf _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
