source/triangulation
Functions used by MaSIF to triangulate proteins (through MSMS), regularize these meshes, and compute chemical charges.
- computeAPBS.py: Wrapper function to compute the Poisson Boltzmann electrostatics for a surface using APBS.
- computeCharges.py: Compute the free electrons/protons in the surface.
- computeHydrophobicity.py: Compute the hydrophobicity of each vertex.
- computeMSMS.py: Compute the MSMS surface of a protein.
- compute_normal.py: Compute the normals of the surface.
- fixmesh.py: Regularize an MSMS mesh
- xyzrn.py: Output a PDB in the input format used by MSMS