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inconsistency in Helen Berman's DNA/RNA parameter and topology set

Axel T. Brunger brunger at LAPLACE.CSB.YALE.EDU
Sat Apr 13 17:27:56 EST 1996


There is an inconsistency in Helen Berman's DNA/RNA parameter and topology set for X-PLOR
(dna-rna.parameter and dna-rna.topology). Some of the hydrogens have atom type "HO".
This atom type is reserved for the metallic element holmium (HO).

This inconsistency may cause problems when the set (dna-rna.parameter
and dna-rna.topology) is used in conjunction with the pre-release of X-PLOR
which will become available in the future.  The inconsistency does not
cause problems when used with version 3.1 of X-PLOR.

I've changed the atom type in the parameter and topology set to HHO.  This means that
all molecular structure files which were derived from the set
should be recreated immediately!  All derivative versions of the set need to
be changed as well. Sorry for the inconvenience this may cause.

The modified dna-rna.topology and dna-rna.parameter files are available through the
X-PLOR web site starting on Monday, April 15, 1996.

Axel Brunger




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