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[ccp4bb]: Refmac behavior
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Hello: I am experiencing strange behavior with suite 4.2 and refmac5. I
have a protein with calcium and chloride ions. The output from 4.2 suite
is
+++++++
ATOM 3946 CA CA X 497 8.145 37.346 10.569 1.00 39.97 CA
ATOM 3947 CL . 0 8.215 37.340 10.609 1.00 45.03 CL
wheras from suite 4.1.1 is
+++++
ATOM 3946 CA CA X 497 8.169 37.347 10.557 1.00 24.86 CA
ATOM 3947 CL CL X 498 9.452 52.761 17.861 1.00 22.71 CL
+++++++++++
Does anybody know why this happens?
If I went back to suite 4.1.1 ccp4i 1.2.7 everything seems ok.
subbu