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Gabriel Studer's avatar
Change bond length/angle parameters for sidechain and backbone construction
Studer Gabriel authored 
Sidechains and BackboneLists now use bond length and angle parameters that are
extracted from a non-redundant set of high resolution X-ray structures.
IC data from CHARMM36 was used before. The new parameters slightly improve
sidechain modelling accuracy.
d760933d
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Gabriel Studer's avatar d760933d
History
Name Last commit Last update
..
CMakeLists.txt
all_atom_env.cc
all_atom_env.hh
all_atom_positions.cc
all_atom_positions.hh
amino_acid_atoms.cc
amino_acid_atoms.hh
backbone.cc
backbone.hh
bb_trace_param.cc
bb_trace_param.hh
data_bag.hh
dense_hash_table.hh
dense_map.hh
density_creator.cc
density_creator.hh
forcefield_lookup.cc
forcefield_lookup.hh
frag_db.cc
frag_db.hh
fragger.cc
fragger.hh
hydrogen_constructor.cc
hydrogen_constructor.hh
hydrogen_rule_lookup.cc
hydrogen_rule_lookup.hh
idx_handler.cc
idx_handler.hh
loop_object_loader.cc
loop_object_loader.hh
mm_system_creator.cc
mm_system_creator.hh
paged_array.hh
psipred_prediction.cc
psipred_prediction.hh
sidechain_atom_constructor.cc
sidechain_atom_constructor.hh
sidechain_atom_rule_lookup.cc
sidechain_atom_rule_lookup.hh
stem_geom.hh
structure_db.cc
structure_db.hh
structure_db_custom_types.hh
torsion_sampler.cc
torsion_sampler.hh
ushort_vec.hh