openforcefield.utils.structure.extractPositionsFromOEMol¶

openforcefield.utils.structure.extractPositionsFromOEMol(oemol)[source]¶

Get the positions from an OEMol and return in a position array with units via simtk.unit, i.e. foramtted for OpenMM. Adapted from choderalab/openmoltools test function extractPositionsFromOEMOL