[Bioperl-l] writing PDB format from BioPerl

[Kris Boulez]

I've just checked in a new version of Bio::Structure::IO::pdb.pm which
has a working write_structure . Meaning that you can now write out PDB
records from BioPerl.

This is not the final version, but it is what I have now ready for 0.9.3
(Ewan, I hope I'm on time). I think it is fairly complete.

Things it doesn't do (right) at the moment
- no ANISOU,SIGUIJ,SIGATM records for the moment
- placement of TER record is sometimes different then in original
   (someone has the exact algoritm ?)
- MASTER record (contains checksums) is not calculated, but used from
   original
- minor glitches as PDB records are mostly created by humans and
   not computers

In the near future I hope to add the missing records, add documentation
and examples, and see if the DSSP and STRIDE modules can be integrated
better.

Kris,
-- 
Kris Boulez 				Tel: +32-9-241.11.00
AlgoNomics NV 				Fax: +32-9-241.11.02
Technologiepark 4 			email: kris.boulez@algonomics.com
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