CODEWITHSUNDEEP
c++protein-database
moinudin
moinudin

Reputation: 138357

Simple PDB Library

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.

Upvotes: 1

Views: 1347

Answers (2)

Dologan
Dologan

Reputation: 4774

ESBTL (Easy Structural Biology Template Library) ( http://esbtl.sourceforge.net/ ) is a fairly recent library that is probably ideal to your needs. It is very lightweight by itself (headers only), although it does depend on the Boost library, which may or not put you off.

The abstract of the paper describing it can be found here: (http://bioinformatics.oxfordjournals.org/content/26/8/1127.abstract)

Upvotes: 3

Tom
Tom

Reputation: 21902

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.

Upvotes: 3

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