I am looking for a simple C++ library for extracting atom coordinates from a pdb file. Most I've come across do too much for my simple needs, making them unnecessarily complex.
+2
A:
It has been years since I have used anything to do this, and I have only used python libraries. (I actually had a summer job at the PDB at Rutgers University).
I think what you want to use is OEChem for C++ (That's Open eye...there is a python library too).
The other python library I remember is pymmlib (Python Macromolecular Library). It might be available for C++ too, but I think it's proprietary software, so you would need a license.
I wish I remembered more... hope this helps. I don't think there will be a lightweight solution, unless you want to code it yourself.
Tom
2009-04-11 17:50:26
Thanks, OEChem looks better than most I have found. Though the long process to obtain an academic licence is putting me off.I've thrown in my own code to do what I want for now, but I'd prefer to find a suitable library/toolkit for reliability.
marcog
2009-04-11 21:29:53