Build#

Add bonds

Adding new covalent bonds between atoms in a molecular system

Add missing bonds

Adding the missing bonds in a molecular system

Add missing heavy atoms

Adding the missing heavy atoms in a molecular system

Add missing hydrogens

Adding the missing hydrogen atoms in a molecular system

Add missing terminal_cappings

Adding the missing terminal cappings in a molecular system

Build peptide

Building a peptide

Define new chain

Define a new chain with new id and name attributes

Get disulfide bonds

Getting the disulfide bonds of a molecular system

Get missing bonds

Getting the missing bonds of a molecular system

Get missing heavy_atoms

Getting the missing heavy atoms of a molecular system

Get missing residues

Getting the missing residues of a molecular system

Get missing terminal_cappings

Getting the missing terminal cappings of a molecular system

Get non standard residues

Getting the non standard residues of a molecular system

Has hydrogens

Checking if a molecular system has hydrogen atoms

Is solvated

Checking if a molecular system is solvated

Make bioassembly

Making a bioassembly of a molecular system

Make water box

Making a water box system

Mutate

Mutating residues in a molecular system

Remove overlapping molecules

Removing overlapping molecules in a molecular system

Solvate

Solvating of a molecular system

Solve atoms with alternate location

Solving the coordinates of atoms with alternate locations in a molecular system