thomas at ultr5.vub.ac.be (Thomas hamelryck) wrote:
> Hi,
>> I'm trying to write a C++ object that can read in a pdb file and represent
> a protein internally. The object should also be capable of performing
> simple manipulations of the structure like deleting a residue or flipping
> a peptide bond.
>> My question is :
>> Are there any books or references dealing with the efficient representation
> of a protein in a program? Useful suggestions or programming tips are
> welcome too.
Andrew Dalke and William Pitt offered some excellent suggestions. Andrew
mentioned CGL's libpdb++. I wanted to mention that we (CGL) also have a
C++ class building system designed for biomolecular applications: the
Object Technology Framework (OTF). It's an alpha release, but you might
want to see if it's something you could use. Documentation/download at:
http://www.cgl.ucsf.edu/home/otf.
While looking at the web pages for the software William Pitt mentioned, I
noticed that he had a nice page of links to related biomolcular application
building pages at:
http://www.cryst.bbk.ac.uk/classlib/bioinf/other_software.html
Hope this helps.
---
Eric Pettersen
UCSF Computer Graphics Lab
pett at cgl.ucsf.edu (NeXTmail capable)
http://www.cgl.ucsf.edu/cgl
