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Commits on Sep 5, 2024

• avoid bogus GCC warning in Topo::apply_all_restraints

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• cmake: fix "make check"

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Commits on Sep 4, 2024

• gemmi-set: add option --select

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• gemmi-set: edit help message [skip ci]

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Commits on Sep 3, 2024

• "gemmi set" subcommand is ready

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Commits on Sep 2, 2024

• new subcommand: set

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Commits on Aug 31, 2024

• two more checks, in align_sequence_to_polymer and superpose_positions

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• python: add checks for lengths of input lists in superpose_positions()

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Commits on Aug 30, 2024

• gemmi convert --sifts-num: fix calculation of the offsets

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Commits on Aug 28, 2024

• python: change SpaceGroup.__eq__

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• avoid Clang warning -Wunused-lambda-capture

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• python: add rename_chain and rename_residues

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Commits on Aug 27, 2024

• move functions read_ccp4_map() and read_ccp4_mask() to the library

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• remove unneeded header

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• move most of the code from pdb.hpp to pdb.cpp

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Commits on Aug 26, 2024

• move all REMARKs parsing into read_metadata_from_remarks()

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• move remarks.hpp and part of pdb.hpp into new file pdb.cpp

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• in NumPy 2.1.0 set_printoptions() returns something

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• fix CMakeLists.txt

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• fix compilation - missing header for uint8_t

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• cmake 3.30 deprecated FetchContent_Populate

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• CI: add ubuntu-24.04

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Commits on Aug 14, 2024

• pdb: since SSBONDs don't have altlocs, assume it's for

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• misc changes suggested by clang-tidy

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• increase line length limit to 100

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• assembly.hpp: refactoring ChainNameGenerator

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Commits on Aug 13, 2024

• mmcif.cpp: fix read_prot_cis - remove leftover line

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Commits on Aug 8, 2024

• change tests for python cif.block.set_mmcif_category()

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• tests/test_symmetry.py: one more test

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Commits on Aug 2, 2024

• tentative fix for make_chemcomp_with_restraints()

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Commits on Aug 1, 2024

• topo: ignore gap link in apply_restraints_from_link()

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Commits on Jul 30, 2024

• Python: remove buffer protocol from docs, tests and examples

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• fixes for python bindings

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Commits on Jul 17, 2024

• fix a broken test

  keitaroyam

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• meta: add missing items to SoftwareItem

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