Closed Daniel-Ibarrola closed 1 year ago
Transform rdkit.Mol to mdtraj.Trajectory without needing to write a file to disk.
rdkit.Mol
mdtraj.Trajectory
Relative import were removed and ligand receptor pharmacore and ligand based pharmacophore were moved to new folders.
Description
Transform
rdkit.Moltomdtraj.Trajectorywithout needing to write a file to disk.Relative import were removed and ligand receptor pharmacore and ligand based pharmacophore were moved to new folders.
Status