conformations

Jodi Lubetsky jodi at PHARM.MED.YALE.EDU
Wed Dec 30 12:07:52 EST 1998


dear users,

I am refining a structure of an enzyme complexed to its substrate/product.  THe
enzyme catalyzes the conversion between the keto and enol forms, and both fit
into my SA-omit map electron density.  I was wondering how i would go about
further refinement including both forms in my coordinates.  Additionally, is
there a way to also refine the occupancies of both forms?

thanks in advance,
jodi



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