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Wanted: C++ Software for reading PDB files

Steven Brenner brenner at mole.bio.cam.ac.uk
Mon Mar 27 05:15:53 EST 1995

cieslar at mango.biochem.mpg.de () writes:

>Are there somewhere C++ or C routines that are able to read and write
>PDB Files maybe together with a class library for aminoacids ? 

There are two that I know of:

Phil Bourne's (system at cuhhca.hhmi.columbia.edu) group (mainly Weider
Chang) has developed a set of libraries for reading PDB and CIF files.
It has a great deal of detail about the exact makeup of PDB records
(such as a large database of heterogens).  I haven't looked at it very
recently, but it seemed passably documented, and has a nice, optional
X interface.  However, in my experience it is difficult to extend and
isn't terribly efficient, though.

I have also developed a library, but have paused further development
until I can find less-buggy and more-compatible C++ compilers.   My
library is more spartan than Bourne's groups and is less well
documented; however, it is more extensible and relatively efficient.
It can be freely obtained by contacting me.


Steven E. Brenner                    | S.E.Brenner at bioc.cam.ac.uk 
MRC Laboratory of Molecular Biology  | 
Hills Road                           | Office:   +44 1223 402221            
Cambridge CB2 2QH, UK                | Fax:      +44 1223 213556

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