Update dependency gemmi to >=0.5.5, <=0.6.5 #244
Merged
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This PR contains the following updates:
>=0.5.5, <=0.6.4
->>=0.5.5, <=0.6.5
Release Notes
project-gemmi/gemmi (gemmi)
v0.6.5
: 0.6.5Compare Source
Library:
ABCDE
↔~DE
) for PDB files_chem_comp_atom.alt_atom_id
) from the monomer library (the names in the CCD and therefore also in the ML change occasionally), print better diagnostic; added functionMonLib::update_old_atom_names()
to update the names in a Structureadd_entity_ids()
when called withoverwrite=true
)Intensities::prepare_merged_mtz()
Python bindings:
cif.Loop.val()
has been replaced with__getitem__
/__setitem__
Mtz.Batch.ints
andMtz.Batch.floats
Program
Note: this list is meant to show important changes only.
Configuration
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