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Hot Sites for Heteros in Sweden $$$$$ (just kidding !)

Gerard 'CD' Kleywegt GERARD at XRAY.BMC.UU.SE
Tue Jul 15 12:33:14 EST 1997

Don't delete and unsubscribe yet !

The option in XPLO2D to generate X-PLOR dictionaries for hetero
entities has been improved.  Check the manual at:


Improved X-PLOR dictionaries for more than 1,000 hetero compounds
have been generated and are available from:


(They will be mirrored at Yale soon (Paul ?).)

The XDICT server, to generate X-PLOR dictionaries for your own
hetero compounds has also been improved; see:


A new WWW service is available which will do some simple checks
on the geometry of hetero compounds.  Go to:


More information related to hetero compounds can be found at:


For the crystallographers: an example X-PLOR input file to
set up systematic SA omit calculations for your whole molecule
(e.g., leaving out 10 residues at a time) can be found at


There is also an accompanying C-shell script which generates:
(1) a MAPMAN input file to mappage all the systematic omit files, and
(2) an O macro to go through the results (and to calculate "real-space
    Rfree" values, i.e. real-space fit values inside each residue's
    own omit density)
This script is at:


Enjoy !


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