StructuralStudies

INB-dev:mmb.pcb.ub.es:runLeapFromAMBER_MD_Structure

FAILED

Runs Leap program from AmberTools package (from a AMBER_MD_Structure). Returns an AMBER_MD_Structure (pdb + topology).

$Rev: 20 $

INB-dev:mmb.pcb.ub.es:solvateStructureFromGROMACS_MD_Structure

FAILED

Solvates a Structure (Protein/Nucleic).

$Rev: 20 $

INB-dev:mmb.pcb.ub.es:solvateStructureWithLigandsFromPDBText

FAILED

Solvates a Structure (Protein/Nucleic) with 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 $

INB-dev:mmb.pcb.ub.es:solvateStructureWithLigandsFromAMBER_MD_Structure

FAILED

Solvates a Structure (Protein/Nucleic). Reads Ligand libraries and frcmods from input.

$Rev: 20 $

INB-dev:mmb.pcb.ub.es:solvateStructureFromAMBER_MD_Structure

FAILED

Solvates a Structure (Protein/Nucleic).

$Rev: 20 $