|
Download model/comp_surface/prepare_target/triangulation/README.md from OneScience-Group/SurfDock: direct link, hf CLI and curl.
- Browser
- Download file 623 Bytes
-
https://huggingface.co/OneScience-Group/SurfDock/resolve/main/model/comp_surface/prepare_target/triangulation/README.md
- Command line
-
hf download hf://OneScience-Group/SurfDock/model/comp_surface/prepare_target/triangulation/README.md
-
curl -L -o README.md https://huggingface.co/OneScience-Group/SurfDock/resolve/main/model/comp_surface/prepare_target/triangulation/README.md
623 Bytes
| ### 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 | |