alternate conformations - non side chain case

Joe Krahn jkrahn at pandora.bio.purdue.edu
Fri Mar 27 10:48:53 EST 1998


A categorical statement that SHELXL-97 is superior to X-PLOR is totally
inaccurate.  There are many things that is does that are superior to
the methods of X-PLOR, but the reverse is sometimes true.  For example,
SHELXL only uses distance restraints; X-PLOR has true angular and
dihedral restraints, planar retsraints, etc.  X-PLOR also does simulated
annealing, can be used for simulated dynamics (though not by me), etc.

Joe Krahn



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