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sergio-santos-group
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ProtoSyn.jl
A Julia-based framework for molecular modelling
https://sergio-santos-group.github.io/ProtoSyn.jl/stable/
GNU Affero General Public License v3.0
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Topology from pdb
#12
Closed
JosePereiraUA
closed
5 years ago
JosePereiraUA
commented
5 years ago
Dihedrals and Residues now belong to the Metadata object.
A Metadata object is returned from
load_from_pdb
function (and load_from_gro).
AtomMetadata now has references to the Residue object the atom belongs to.
Printers now receive metadata as a separate argument (instead of it being a parameter of State).
load_from_pdb
function (and load_from_gro).