rcsb.utils.dssp 0.10

RCSB Python DSSP Utilities

RCSB Python DSSP Utilities

Introduction

This module contains utility methods for calculating DSSP secondary structure entries for models in the RCSB PDB archive.

Installation

Download the library source software from the project repository:

git clone --recurse-submodules https://github.com/rcsb/py-rcsb_utils_dssp.git

Important: Setup will require an up-to-date version of cmake to be installed on the machine and the executable to be in the system's PATH.

Optionally, run test suite (Python versions 3.9) using setuptools or tox:

python setup.py test

or simply run

tox

Installation is via the program pip.

pip install rcsb.utils.dssp

or for the local repository:

pip install .

References

• DSSP 4.0. Maarten L. Hekkelman, et al. https://github.com/PDB-REDO/dssp
• libcifpp. Maarten L. Hekkelman, et al. https://github.com/PDB-REDO/libcifpp