Dear all,
if ase can consider to enhance the file IO for .pdb file?
the function to allow for the conditioned define of the residual name of atom groups and the check for the bond relation by cutoff deserves the enhancement
Dear all,
if ase can consider to enhance the file IO for .pdb file?
the function to allow for the conditioned define of the residual name of atom groups and the check for the bond relation by cutoff deserves the enhancement