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nanohedra/README.md

NANOHEDRA: A FRAGMENT-BASED PROTEIN DOCKING TOOL FOR CONSTRUCTING SYMMETRY COMBINATION MATERIALS


NANOHEDRA IS LICENSED UNDER THE MIT LICENSE (SEE: LICENSE)


NANOHEDRA SETUP

STEP 1 - COMPILE 'orient_oligomer.f'
cd orient
gfortran -o orient_oligomer orient_oligomer.f

STEP 2 - INSTALL 'FreeSASA 2.0.3'
go to: https://freesasa.github.io for a quick installation guide

STEP 3 - INSTALL the following Python modules that support Python 2.7
'sklearn' version 0.20.1 (https://scikit-learn.org/0.20)
'biopython' version 1.72 (https://biopython.org/wiki/Download)


RUNNING NANOHEDRA
to access the user manual page:
python nanohedra.py


NOTES
nanohedra currently only supports Python 2.7
nanohedra currently runs on Linux/Unix and Mac

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