SCSD for refcode 3AT5_HEM_B_147 retrieved from the porphyrin_pdb dataset using D4h symmetry

Table 1; SCSD parameters derived from the atom positions

Symm Sum (Å)
A1g 0.85
A2g 0.08
B1g 0.38
B2g 0.43
A1u 0.11
A2u 0.44
B1u 1.73
B2u 0.92
Egx+y 0.18
Egx-y 0.46
Eux+y 0.25
Eux-y 0.40

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
3AT53AT5_HEM_B_1470.0 Å
3X153X15_HEC_D_2000.154 Å
5YSW5YSW_HEM_A_5010.169 Å
3NA13NA1_HEM_B_6010.198 Å
2FDV2FDV_HEM_D_5000.22 Å