[IMP-users] PMI with multiple PDBs

[Altair Hernández <>]

Hi,

I am trying to use multiple PDB files using the PMI multiscale modelling protocol. I'm doing it by creating different PMI.states within the main system. Is this the IMP.pmi way to do it?

My script:

data_directory = "../input/"
pict_pdb = data_directory + "path/to/pdb1"
hg_pdb_model = data_directory +  "path/to/pdb2"
hg_fasta = data_directory + "path/to/pdb2.fasta"

# Initialize model
m = IMP.Model()

# HEMOGLOBIN
hg_fasta_seqs = IMP.pmi.topology.Sequences(hg_fasta)
hg_pdb_seqs = IMP.pmi.topology.PDBSequences(m, hg_pdb_model)

# PICT PDB
pict_pdb_seqs = IMP.pmi.topology.PDBSequences(m, pict_pdb)

# Create System and State
s = IMP.pmi.topology.System(m) # defining the root of a hierarchy
st_1 = s.create_state()
st_2 = s.create_state()

Thanks!

Best,

Altair