|
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 | |||
|
create new restraints | ||||
restraint listing |
|
|
all |
restr | 1 | restraint type code | |||
bond length |
|
||||
bond angle |
|
||||
dihedral angle |
or
|
||||
rigid bond |
|
||||
2-N | atom names [a] | ||||
N+1 | restraint value | ||||
N+2 | esd of restraint value | ||||
N+3 | weight of restraint value | 1/ | |||
[a] 2 names required for
|
delres | 1 | restraint type code | |||
bond length |
|
||||
bond angle |
|
||||
dihedral angle |
or
|
||||
rigid bond |
|
||||
2-N | atom names |