Pinned Repositories
CCDCpowder
Calculates the powder pattern from a PDB trajectory.
CP2K_scripts
Converts CP2K xyz and cell file to a pdb trajectory
gromacs_dehydration
make_supercell
PhAI
pycell
PyMOL plugin that can draw supercells on each frame from a pdb trajectory.
RDKitSearch
Conformational search with RDKit.
aslarsen's Repositories
aslarsen/RDKitSearch
Conformational search with RDKit.
aslarsen/gromacs_dehydration
aslarsen/PhAI
aslarsen/CCDCpowder
Calculates the powder pattern from a PDB trajectory.
aslarsen/CP2K_scripts
Converts CP2K xyz and cell file to a pdb trajectory
aslarsen/make_supercell
aslarsen/pycell
PyMOL plugin that can draw supercells on each frame from a pdb trajectory.