Guide to installing dssp on Mac (Reference: https://github.com/cmbi/xssp)
[1] Install homebrew and required libraries:
- Command-line tools for Xcode:
xcode-select --install
- Homebrew:
ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"
- Boost:
brew install boost
- Automake:
brew install automake
[2] Download and uncompress the xssp source code archive (version >= 2.2.6):
wget https://github.com/cmbi/xssp/archive/xssp-?.?.?.tar.gz
tar -zxvf xssp-?.?.?.tar.gz
cd xssp-?.?.?
[3] Configure and build the dssp executable:
./autogen.sh
./configure
make mkdssp
[4] Add mkdssp to path in ~/.bash_profile
:
export PATH="/path/to/xssp-?.?.?:$PATH"
[5] Done! Executable in terminal with mkdssp
or in Python:
from Bio.PDB import DSSP, PDBParser
parser = PDBParser()
structure = parser.get_structure(<pdb_name>, <pdb_path>)
model = structure[0]
dssp = DSSP(structure[0], <pdb_path>, dssp='mkdssp')