SCSD for refcode 2QJY_HEM_M_502 retrieved from the porphyrin_pdb dataset using D4h symmetry

Table 1; SCSD parameters derived from the atom positions

Symm Sum (Å)
A1g 0.23
A2g 0.06
B1g 0.11
B2g 0.36
A1u 0.01
A2u 0.04
B1u 1.12
B2u 0.65
Egx 0.64
Egy 0.10
Eux+y 0.09
Eux-y 0.08

Mondrian diagram

Figure 1; Neoplastic representation of the SCSD parameters

Figure 2; Atom positions and symmetric decomposition modes

Table 2; Most similar in precalculated databases

PDB link scsd link √Σ(S(1)-S(2))2
2QJY2QJY_HEM_M_5020.0 Å
1UPD1UPD_HEC_A_11100.148 Å
6VBY6VBY_HEM_A_6020.196 Å
1UP91UP9_HEC_A_2030.196 Å
2QJY2QJY_HEM_A_5020.198 Å