<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:arial,helvetica,sans-serif;font-size:12pt"><div>Hi all<br><br>I do have crystal structure of my ligand and trying to optimise the geometry using phenix.elbow.<br>It entirely rotate one of the ring bond to other side and in result of breaking the ring geometry.<br>Ring contain sulphur and other heavy metal.<br><br>Is it any way to optimize with current geometry in phenix.elbow so that it wont ruin the molecule?<br>Thanks<br>ram<br><br></div><div style="font-family: arial,helvetica,sans-serif; font-size: 12pt;"><br><div style="font-family: arial,helvetica,sans-serif; font-size: 13px;"><br></div></div>
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