molecular structure

Solvates a Structure (Protein/Nucleic).

$Rev: 20 $

Runs an energy minimization of the Structure (Using Namd program).

$Rev: 20 $

Runs an energy minimization of the Structure (Using Namd program).

$Rev: 20 $

Runs Leap program from AmberTools package (from a PDB-Text). Reads Ligand libraries and frcmods from input. Returns an AMBER_MD_Structure (pdb + topology).

$Rev: 20 $

Runs an energy minimization of the Structure (Using Gromacs package).

$Rev: 20 $