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- analyze(potList)
perform analysis of DistSymmPot terms and return nicely formatted
summary
- create_DistSymmPot(name, restraints=None, sim=None, sim2=None)
Create a DistSymmPot term with distances specified in a file or sequence.
The form of the sequence should be:
[[ (atom1, atom2), (atom3, atom4) , ...], ...]
where atomN is a atom selection string which selects a single
atom, and each pair of atoms specifies a distance. The sequence
should contain at least two atom pairs.
sim and sim2, if specified, specify the simulations of the first and
second atoms, respectively.
- genDimerRestraints(resids, segids=['A', 'B'], atomName='CA')
generate a set of restraints for DistSymmPot appropriate for a dimer
with identical subunits in the specified segids. Restraints will be
created, one for each specified residue using the specified atom name.
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