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Inappropriate IUPAC N and C terminal atom names in remediated restraints files #216

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
The coordinates section of the remediated restraints files should match the
mmCIF file including the atom nomenclature and the coordinates. Somehow,
the N and C terminal atoms in at least two or three files have the original
terminal atom names O', O'' etc. instead of OXT, etc. Can the step where
the atom nomenclature switch is being made be identified? Can it be fixed
as soon as possible and the full set of restraints generated?

Original issue reported on code.google.com by Eldon.Ul...@gmail.com on 26 Jul 2009 at 12:49

GoogleCodeExporter commented 9 years ago 
See issue 218.

Original comment by wfvran...@gmail.com on 28 Jul 2009 at 11:16