The Gnu Xtal System User's Manual
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Chapter 3. Program controls
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3.34.
LSRES
: Restraint editor
symeq
symmetry-equivalent atom builder
restr
input one restraint
delres
delete one or more restraints
LSRES
Option
Code
Arg
Def
mode of bdf usage
upd
update old restraints
apr
create new restraints
restraint listing
list
n
all
symeq
1
root atom name
2
symeq atom name
3-5
symmetry-equivalent position
restr
1
restraint type code
bond length
dist
bond angle
angl
dihedral angle
dihe
or
tors
rigid bond
bond
2-N
atom names
[a]
N+1
restraint value
N+2
esd of restraint value
N+3
weight of restraint value
1/
esd
2
Notes:
a.
2 names required for
dist
and
bond
, 3 for
angl
, 4 for
dihe
and
tors
delres
1
restraint type code
bond length
dist
bond angle
angl
dihedral angle
dihe
or
tors
rigid bond
bond
2-N
atom names
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LSQPL
: Least-squares planes & lines
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MAPLST
: List map densities