Molecular dynamics and docking formats#
- Amber Prep format (prep)
- AutoDock PDBQT format (pdbqt)
- DL-POLY CONFIG (CONFIG)
- DL-POLY HISTORY (HISTORY)
- Dock 3.5 Box format (box)
- GRO format (gro)
- GROMOS96 format (gr96)
- LPMD format (lpmd)
- MDFF format (CONTFF, MDFF, POSFF)
- MacroModel format (mmd, mmod)
- SIESTA format (siesta)
- The LAMMPS data format (lmpdat)
- Tinker XYZ format (txyz)
- XTC format (xtc)