[ccp4bb]: relative weights in protein refinement

[Bernard Santarsiero <bds@uic.edu>]

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Harry Greenblatt pointed out that the rmsd of the library is 0.02A for the
bond lengths and 2.0deg for the bond angles.  (Something Dale Tronrud
pointed out to him.) So should we adjust "wa" in CNS to make those the
target values?  Thus, the "wa" weight should probably be doubled or
tripled towards the end of refinement.  I actually like to keep the
geometry very tight while building/rebuilding, and then release it when I
have a complete or near-complete model.  I assume since whatcheck and
procheck also give indications that the automatic "wa" gives target
results that are too tight, then they have similar libraries and target
values.

Bernie