stephenturner/dssp

Application to assign secondary structure to proteins

DSSP 4.3

This is a rewrite of DSSP, now offering full mmCIF support. The difference with previous releases of DSSP is that it now writes out an annotated mmCIF file by default, storing the secondary structure information in the _struct_conf category.

Another new feature in this version of DSSP is that it now defines Poly-Proline helices as well.

The DSSP program was designed by Wolfgang Kabsch and Chris Sander to standardize secondary structure assignment. DSSP is a database of secondary structure assignments (and much more) for all protein entries in the Protein Data Bank (PDB). DSSP is also the program that calculates DSSP entries from PDB entries.

DSSP does not predict secondary structure.

Requirements

The tools are based on libcif++ and the code is written in modern C++ so you need a compiler capable of handling C++17 code.

You also need libmcfp

Building

Make sure you install libcif++ and libmcfp first before building.

After that, building should be as easy as typing:

git clone https://github.com/PDB-REDO/dssp.git
cd dssp
mkdir build
cmake -S . -B build -DCMAKE_BUILD_TYPE=Release
cmake --build build
cmake --install build

Usage

See manual page for more info. Or even better, see the DSSP website.

Docker

Build the image yourself:

git clone https://github.com/PDB-REDO/dssp.git
docker build -t dssp .

Or pull from Docker Hub:

docker pull stephenturner/dssp && docker tag stephenturner/dssp dssp

Usage:

docker run --rm dssp