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1:42:00
Bike
there's also a little bug in the tests in that a couple of them expect a #! macro and now are failing
1:43:13
Bike
readtable-3 might be really wrong, since it makes a standard readtable, which shouldn't have an extension like #! in it
2:52:36
drmeister
That's the Leucine amino acid, when the backbone phi, psi angles are 180, 140 the probability of finding the side-chain in the chi1, chi2 dihedral angles listed.
2:53:40
drmeister
There are about 720,000 entries in this database, one rotamer per line with comments.
2:57:10
drmeister
I compare the size of the gzip'd spiroligomer conformations.cpk file vs the protein rotamer library and its 17:1 in size.
2:58:01
drmeister
So it takes 17 times as much information to specify spiroligomer structures in a modular way vs proteins.
2:58:52
drmeister
Ok, that's not completely fair because they store only the essential dihedral angles and I store every dihedral angle, angle and bond length.
3:00:45
drmeister
So it takes about as much information to describe the essence of protein structure as it does to store spiroligomer structure and we both have about 20 functional groups. Within a factor of 2.
3:09:10
drmeister
Oh dear lord - this is ridiculous. I googled "Periodic Table" to lookup atomic masses and there's a javascript widget for rotating a Bohr model of an atom. That makes zero sense.
12:57:22
yitzi
I've reread the section on dispatching macro characters, and having a definition for #! is apparently verboten since it is a reserved macro character. #i is not reserved.
13:01:27
yitzi
It's a little ambiguous, but I think that the implication of the spec is that #i is undefined in the standard syntax, but an implementation may define it in the initial readtable. CORE:PRINT-CXX-OBJECT is currently hard wired into General_O::write when printing readably. So this is a bit of a conflict.