Thanks to everyone who wrote to suggest fixes to my conversion problem. It turns out the X-PLOR map statement "selection = (resid 1:40)" happened to cut the map at the z=1 unit cell face. That line should have read "selection = ( all )". When I fixed it, the map does indeed cover the entire molecule and extends beyond the unit cell edges. ####################################################################### # # # Mary Ann Perozzo # # Research Chemist # # # ####################################################################### # perozzo@nrl.navy.mil # Code 6030 # # voice (202)767-0657 # Naval Research Laboratory # # fax (202)767-6874 # Washington, DC 20375-5320 # #######################################################################
This archive was generated by hypermail 2b29 : Tue Mar 20 2007 - 03:13:18 CST