Merge branch 'master' into long-id

# Conflicts: # list/mon_lib_list.cif
MonomerLibrary · Mar 22, 2024 · 301a61d · 301a61d
2 parents f51085a + 309327f
commit 301a61d
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diff --git a/a/AX.cif b/a/AX.cif
@@ -0,0 +1,22 @@
+data_comp_list
+loop_
+_chem_comp.id
+_chem_comp.three_letter_code
+_chem_comp.name
+_chem_comp.group
+_chem_comp.number_atoms_all
+_chem_comp.number_atoms_nh
+_chem_comp.desc_level
+AX AX 'unknown anomalous scatterer' NON-POLYMER 1 1 .
+
+data_comp_AX
+loop_
+_chem_comp_atom.comp_id
+_chem_comp_atom.atom_id
+_chem_comp_atom.type_symbol
+_chem_comp_atom.type_energy
+_chem_comp_atom.partial_charge
+_chem_comp_atom.x
+_chem_comp_atom.y
+_chem_comp_atom.z
+AX AX O DUM 0.000 0.000 0.000 0.000
diff --git a/list/mon_lib_list.cif b/list/mon_lib_list.cif
@@ -35207,6 +35207,8 @@ CF CF 'CALIFORNIUM ION' NON-POLYMER 1 1 .
 RHF RHF 'RHODIUM(II) ION' NON-POLYMER 1 1 .
 TA0 TA0 'Tantalum' NON-POLYMER 1 1 .
 ZCM ZCM 'CURIUM ION' NON-POLYMER 1 1 .
+AX AX 'unknown anomalous scatterer' NON-POLYMER 1 1 .
+RX RX 'unknown real scatterer' NON-POLYMER 1 1 .
 A1LU6 A1LU6 "5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one" NON-POLYMER 40 25 .
 
 data_deriv_list

diff --git a/r/RX.cif b/r/RX.cif
@@ -0,0 +1,22 @@
+data_comp_list
+loop_
+_chem_comp.id
+_chem_comp.three_letter_code
+_chem_comp.name
+_chem_comp.group
+_chem_comp.number_atoms_all
+_chem_comp.number_atoms_nh
+_chem_comp.desc_level
+RX RX 'unknown real scatterer' NON-POLYMER 1 1 .
+
+data_comp_RX
+loop_
+_chem_comp_atom.comp_id
+_chem_comp_atom.atom_id
+_chem_comp_atom.type_symbol
+_chem_comp_atom.type_energy
+_chem_comp_atom.partial_charge
+_chem_comp_atom.x
+_chem_comp_atom.y
+_chem_comp_atom.z
+RX RX O DUM 0.000 0.000 0.000 0.000