<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Hi,</DIV>
<DIV>I am simulating monoclinic hydroxyapatite CA10 (PO4)6 (OH)2.</DIV>
<DIV>I have found a PDB of CA5 (PO4)3 (OH) , whitch consits of 22 atoms.</DIV>
<DIV>the monoclinic structure of HAP has however 88 atoms and space group (P 21/b)</DIV>
<DIV>it means to generate the super cell of HAP i have to feed editconf with the </DIV>
<DIV>appropriate CRYST1 record in PDB file. </DIV>
<DIV> </DIV>
<DIV>CRYST1 9.42 18.86 6.88 90.00 120.00 90.00 P 1 21 1 4</DIV>
<DIV> </DIV>
<DIV>according to CRYST1 </DIV>
<DIV> </DIV>
<DIV> </DIV></td></tr></table><br>