RCSB Python DSSP Utilities
Project description
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
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