structure calculation

Alexandre Bonvin abonvin at volta.csb.yale.edu
Wed May 17 10:14:40 EST 1995

In article <Pine.SOL.3.91.950516164851.9538B-100000-100000-100000 at topaz>  
chan at bioch.ox.ac.uk writes:
> 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.

PROCHECK will do that and much more... One of the file generated by  
PROCHECK contains all dihedral angles. Information about PROCHECK is  
available from PDB. Check their web pages (http://www.pdb.bnl.gov).


| Alexandre Bonvin PhD           | Phone: (203) 432-5066                 |
| Mol. Biophys. & Biochemistry   | Fax:   (203) 432-6946                 |
| Yale University                | Email: abonvin at laplace.csb.yale.edu   |
| New Haven CT 06520-8114, USA   |                                       |

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