°
Building
-
Build atoms to molecules, oligomers, crystals and loops
Swap
chemical elements
,
atom positions
,
residue side-chains
and
entire objects
. Create
individual atoms
, or
residues
,
build loops
(
including the loop database
) or
entire proteins
,
extending them at the C-terminus
,
possibly adding missing oxygens
and
protection caps
. To prepare a molecular dynamics simulation,
clean the structures
. When looking at oligomers,
duplicate objects
, use the BIOMT transformations in the PDB file to
create the biological oligomeric state
or
add the crystal symmetry related copies
.
°
AddCap<Obj|All>
-
Add N/C-terminal capping groups
°
AddRes
-
Add terminal residue
°
AddTer<Obj|All>
-
Add C-terminal oxygens
°
BuildAtom
-
Build single atom
°
BuildLoop
-
Build central or terminal loop
°
BuildLoopDB
-
Build loop data base
°
BuildMol
-
Build peptide chain
°
BuildRes
-
Build single residue
°
Clean<Obj|All>
-
Clean objects for molecular dynamics simulation
°
Crystallize<Obj|All>
-
Crystallize objects to fill the unit cell
°
Duplicate<Obj|All>
-
Duplicate objects
°
Oligomerize<Obj|All>
-
Oligomerize objects to generate the biologically active form
°
SwapAtom
-
Swap chemical element of atoms
°
SwapObj
-
Swap two objects in the list
°
SwapPosAtom
-
Swap atom positions
°
SwapRes
-
Swap residue side-chains