Module AmberParmBuilder

source code

Create Amber topology and coordinate file from PDB.

Classes

AmberError

AmberParmBuilder
Create Amber topology and coordinate file from PDB.

Variables

f = t.testRoot()+ '/Amber/'

traj = t.Load(f+ 'lig.etraj')

m = m.compress(m.maskHeavy())

f_in = f+ '/AmberParmBuilder/lig_stripped.pdb'

a = AmberParmBuilder(f_in, verbose= 1, debug= 1)

Variables Details

Value:

t.testRoot()+ '/Amber/'

Value:

t.Load(f+ 'lig.etraj')

Value:

m.compress(m.maskHeavy())

Value:

f+ '/AmberParmBuilder/lig_stripped.pdb'

Value:

AmberParmBuilder(f_in, verbose= 1, debug= 1)