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

Runs Leap program from AmberTools package (from a AMBER_MD_Structure). Returns an AMBER_MD_Structure (pdb + topology).
$Rev: 20 $
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INB-dev:mmb.pcb.ub.es:solvateStructureFromGROMACS_MD_Structure

Solvates a Structure (Protein/Nucleic).
$Rev: 20 $
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INB-dev:mmb.pcb.ub.es:solvateStructureWithLigandsFromPDBText

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

Solvates a Structure (Protein/Nucleic). Reads Ligand libraries and frcmods from input.
$Rev: 20 $
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INB-dev:mmb.pcb.ub.es:solvateStructureFromAMBER_MD_Structure

Solvates a Structure (Protein/Nucleic).
$Rev: 20 $
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