Installation

Requirements

X3DNA is needed on the 3SPN2.C forcefield in order to calculate the equilibrium bonds, angles and dihedrals. It is also needed to create a structure from sequence. Please follow their instructions for installation and add the installation directory to the X3DNA environment variable.

open3SPN also requires the following python libraries:

• biopython

• pandas

• numpy

• scipy

• mdtraj

• openmm

• pdbfixer

• nose

From source code

The source code is available at https://github.com/cabb99/open3spn2/

From conda

$ conda install -c wolynes-lab open3spn2