Questions tagged [pdb]

The Protein Data Bank (*.pdb) format is a file format usually used for the computer representation of peptides and proteins.

Filter by
Sorted by
Tagged with
1
vote
1answer
412 views

PQR files make from pdb2pqr are different to GROMACS

I have a pdb file and I would like to make a pqr one. In GROMACS, I use editconf -mead to produce the pqr file, with topol.top taken from pdb2gmx and use it to ...
3
votes
2answers
118 views

C++ library to mutate pdb residues

Are there any open source libraries available to mutate PDB protein residues? If so are do you have any examples of them?
2
votes
3answers
916 views

List of data munging libraries

I am trying to put together a complete list of all of the tools that computational scientists have found useful when trying to munge data, i.e. take data in one format, extract the useful bits, and ...
17
votes
8answers
2k views

Parsing protein structure data in C

My background is in genomics, but I have recently been working with problems related to protein structure. I wrote a few relevant programs in C, building my own PDB file parser from scratch in the ...