Hi,
I am simulating monoclinic hydroxyapatite CA10 (PO4)6 (OH)2.
I have found a PDB of CA5 (PO4)3 (OH) , whitch consits of 22 atoms.
the monoclinic structure of HAP has however 88 atoms and space group (P 21/b)
it means to generate the super cell of HAP i have to feed editconf with the
appropriate CRYST1 record in PDB file.
CRYST1 9.42 18.86 6.88 90.00 120.00 90.00 P 1 21 1 4
according to CRYST1 description
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