| pdbtoemmap |
Calculate an pseudo-electron density map from atomic coordinates in PDB format |
| emmaptosurf |
Extract a surface profile (.obj or .stl) file from an electron density map |
| surftocgsurf |
Coarsen a surface profile whilst preserving the enclosed volume |
| tettonet |
Convert TETGEN mesh files into NETGEN .vol files to be processed by FFEA |
| voltoffea |
Process the volume mesh file and input material parameters into FFEA input files |
| split |
Split a trajectory into a number of parts |
| thin |
Select every n snapshots out of a trajectory |
| nodesFromTraj |
Creates a set of .node (equilibrium) files from a trajectory snapshot |
| makestructuremap |
Map elements into atoms (.map file) |
| maptraj |
Calculate a pseudo atomistic trajectory given a .map file and an FFEA trajectory |
| pyPCAbuild |
Convert the FFEA trajectory into a PDB format, allowing it to interface with the pyPcazip package |
| pyPCAeigen |
Extract the PCA eigensystem of an FFEA trajectory |
| pyPCAanim |
Build animations of the PCA eigenvectors |
| pyPCAproj |
Calculate a PCA projection trace for a given eigenmode |
