Dear all,

Lets say im doing this

foreach my $atom (sort keys %residues{$residue}){
 do something with $atom;
}
[download]

The atom names, should be ordered due to either i)their distance from the N-terminal, or ii) distance from main chain. This falls into three rough categories:

• The order of the main chain atoms in a residue is always the same: N CA C O
• The order of the heavy (N/C/O/S/P) side chain atoms depends on their greek letter: B G D E Z H
• finally the hydrogens are ordered, not only acording to their greek letter but to their numbers as there's more than one to atom.

Hence, for Tyrosine, I have these atoms, ordered correctly:

N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
2HB
3HB
HD1
HD2
HE1
HE2
HH
[download]

If the my intial loop returned the names randomnly, as hashes do, what should I to sort them? Ive made little attempt on this because I've never really understood anonymous subroutines, or inline subroutines, which is what you usually do with sort. But I imagine I should create a named subroutine that returns 1,0 or -1 according to my own criteria as listed above, am I right?

Cheers
Sam

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