BioSimSpace.IO.readPerturbableSystem

BioSimSpace.IO.readPerturbableSystem(top0, coords0, top1, coords1, property_map={})

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

System