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.
Steve
--
Steven E. Brenner | S.E.Brenner at bioc.cam.ac.uk
MRC Laboratory of Molecular Biology |
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