Water organizer???

Rob Hooft hooft at EMBL-Heidelberg.DE
Mon Dec 18 11:52:45 EST 1995


>>>>> "DB" == Dirksen Bussiere <bussiere at PROBLEM_WITH_INEWS_GATEWAY_FILE> writes:

 DB> I've just finished refining two proteins and, as usual, have the
 DB> waters pretty much scatter througout the ASU.  Is there any
 DB> program that will organize reorder the molecules in a better way
 DB> (i.e., find which symmetry-mates are closer to molecule and
 DB> replace the water in the new location).

If you have the WHAT IF program, the MOVWAT option in the WATER menu
will do what you want. The H2OCHK option in the CHECK menu will warn
you if there are any water molecules that need moving.

Regards,

-- 
 --- Rob.Hooft at EMBL-Heidelberg.DE  http://www.Sander.EMBL-Heidelberg.DE/rob/ --
 ---- In need of protein modeling? http://www.Sander.EMBL-Heidelberg.DE/whatif/
 Validation of protein structures? http://biotech.EMBL-Heidelberg.DE:8400/ ----
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