<Pine.SOL.3.91.950516164851.9538B-100000-100000-100000 at topaz>,
chan at bioch.ox.ac.uk says...
>>Can anyone tell me is there a software that can calculate the phi and
>angles of each amino acid residue from pdb files. The reason is that I
>want to know which strach of amino acid is alpha-coil, beta-sheet, turn
>and random coil _calculated_ from the pdb files. That means, not
>prediction. I have try to extract the molscript file from rasmol, but
>result is not very good.
>>Thanks in advance!
Doesn't the PDB file itself contain this information? At least some
of the entries have records that look like this:
HELIX 1 H1 LEU A 45 ALA A 52 5
HELIX 2 H2 GLU A 55 TYR A 79 1
SHEET 1 SD 4 VAL A 85 ASN A 94 0
SHEET 2 SD 4 ASN A 103 THR A 113 -1
If the PDBs you're interested in don't have these records I'll be happy
to send you a program that will give you the phi-psi angles. Drop me
a note if you need it.
University of Pennsylvania