BioSimSpace.IO.readPerturbableSystem¶
- BioSimSpace.IO.readPerturbableSystem(top0, coords0, top1, coords1, property_map={})[source]¶
Read a perturbable system from file.
- Parameters:
top0 (str) – The path to the topology file for the lambda=0 end state.
coords0 (str) – The path to the coordinate file for the lambda=0 end state.
top1 (str) – The path to the topology file for the lambda=1 end state.
coords1 (str) – The path to the coordinate file for the lambda=1 end state.
property_map (dict) – A dictionary that maps system “properties” to their user defined values. This allows the user to refer to properties with their own naming scheme, e.g. { “charge” : “my-charge” }
- Returns:
system – A molecular system.
- Return type: