Features already present in wordom are:
- Manipulation
- extraction from a dcd file of a single frame to a pdb/crd
- extraction from a dcd file of a serie of frames to another dcd
- merging of dcds into a single dcd - original dcds may be listed in a file or have a common basename and a progressive numbering
- appending a trajectory to another one
- appending a pdb/crd's coordinates to a trajectory
- writing of a single pdb/crd file to a dcd with a single frame
- convertion of a pdb/crd file to a crd/pdb file
- convertion of a dcd to a concatenated xyz
- showing a dcd's headers
- modifying a dcd's headers
- Analysis Calculations
- Distances
- Contacts
- Angles
- Dihedral angles
- Hydrogen Bond Detection
- Radius of giration
- RMSD
- DRMS
- RMSD- and DRMS-based Clustering
- Polar and Nematic Orientational Parameters
- Principal Component Analysis
- Elastic Network Models
- Kinetic Grouping Analysis
- Free Energy Profile
- Protein Structure Network
- Secondary Structure Assignment
Features under development or testing:
- General
- Python bindings
- Parallelization
- Analysis Calculations
- Molecular Surface
Planned features:
- Feel free to suggest and/or contribute!