grimme-lab/rmsd-tool
Tool to calculate the root mean square deviation between molecular structures
FortranLGPL-3.0
Issues
- 0
Allow selection based on atom indices
#5 opened by awvwgk - 0
Improve filtering for PDB related data
#4 opened by awvwgk - 4
Expose the rmsd function from xtb_lsrmsd
#1 opened by mkrompiec