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wojdyr

DDL2: add alternate (deposition) checks

Mar 28, 2025

2ec5afc · Mar 28, 2025

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Name		Name	Last commit message	Last commit date
parent directory ..
_static		_static	customize sphinx-inline-tabs to avoid changes of tab-set width	Feb 3, 2025
_templates		_templates	docs: change theme to Furo, to enable dark mode	Dec 4, 2024
code		code	editing docs	Dec 20, 2024
img		img	R-merge etc: third variant of weighting and docs	Feb 28, 2025
.ignore		.ignore	add docs/.ignore that makes ag ignore _build/ dir by default	Oct 28, 2021
Makefile		Makefile	add documentation	Apr 3, 2017
P0C805.fasta		P0C805.fasta	read_pir_or_fasta(): changes, docs, tests, python bindings	Oct 10, 2023
align-help.txt		align-help.txt	tweak sequence-alignment API and gemmi-align	Oct 4, 2023
analysis.rst		analysis.rst	editing docs	Dec 20, 2024
blobs-help.txt		blobs-help.txt	gemmi sf2map --check: add column mapping as an arg, add docs	Nov 4, 2024
cell.rst		cell.rst	edit and reorg docs	Dec 4, 2024
chemistry.rst		chemistry.rst	editing docs	Dec 20, 2024
cif.rst		cif.rst	DDL2: add alternate (deposition) checks	Mar 28, 2025
cif2json-help.txt		cif2json-help.txt	tweaks in program help message, error message and docs	Mar 16, 2020
cif2mtz-help.txt		cif2mtz-help.txt	gemmi-cif2mtz: add option --refln-to=unmerged	May 7, 2023
cif2mtz-spec.txt		cif2mtz-spec.txt	cif2mtz: add pdbx_F_calc_with_solvent -> F-model to default spec	Nov 4, 2024
cifdiff-help.txt		cifdiff-help.txt	gemmi-cifdiff: compare all blocks	Feb 14, 2025
components.cif		components.cif	documenting ReflnBlock	May 16, 2019
conf.py		conf.py	avoid flake8 warnings	Mar 17, 2025
contact-help.txt		contact-help.txt	gemmi-contact: add option --sort	Apr 4, 2023
contents-help.txt		contents-help.txt	gemmi-contents: add option --select	Sep 21, 2022
convert-help.txt		convert-help.txt	gemmi convert: add option --add-tls, which changes residual B-factors…	Mar 18, 2025
crd-help.txt		crd-help.txt	gemmi program: rename subcommand prep to crd	Jan 3, 2024
ecalc-help.txt		ecalc-help.txt	move calculation of E (normalized F) to the library	Sep 6, 2023
fprime-help.txt		fprime-help.txt	better examples (for previous commit) [skip ci]	Jan 14, 2025
gemmi-help.txt		gemmi-help.txt	back to version -dev	Mar 24, 2025
grep-help.txt		grep-help.txt	gemmi-grep: add option --extended-regexp	Feb 9, 2024
grid.rst		grid.rst	simplifying changes from pull request #345	Mar 19, 2025
h-help.txt		h-help.txt	gemmi-h: added two options	Dec 4, 2023
headers.rst		headers.rst	don't use separate header read_map.hpp, only ccp4.hpp/cpp	Jan 27, 2025
hkl.rst		hkl.rst	Mtz: python bindings, tests and docs for reading with with_data=false	Mar 17, 2025
index.rst		index.rst	docs: edit the part about WebAssembly	Jan 23, 2025
install.rst		install.rst	move spacegroup tables from header to src/symmetry.cpp	Feb 6, 2025
json2cif-help.txt		json2cif-help.txt	gemmi-json2cif: use the same --style option as gemmi-convert	Aug 22, 2022
map-help.txt		map-help.txt	gemmi-map: add option --dump	Feb 23, 2022
map2sf-help.txt		map2sf-help.txt	gemmi-map2sf: add option --spacegroup=SG	May 10, 2023
mask-help.txt		mask-help.txt	simplifying changes from pull request #345	Mar 19, 2025
merge-help.txt		merge-help.txt	gemmi-merge improvements	Mar 12, 2025
misc.rst		misc.rst	writing docs for cif::Ddl	Jan 7, 2025
mol.rst		mol.rst	edit docs	Mar 12, 2025
mondiff-help.txt		mondiff-help.txt	unify option --verbose	Nov 15, 2019
mtz-help.txt		mtz-help.txt	gemmi mtz: remove option --no-isym and make it default	Feb 7, 2025
mtz2cif-help.txt		mtz2cif-help.txt	use codespell to fix common misspellings	Sep 20, 2023
program.rst		program.rst	change version to 0.7.1, preparing for release	Mar 24, 2025
reindex-help.txt		reindex-help.txt	move reindex_mtz() from reindex.hpp to src/mtz.cpp	Mar 14, 2023
requirements.txt		requirements.txt	customize sphinx-inline-tabs to avoid changes of tab-set width	Feb 3, 2025
residues-help.txt		residues-help.txt	gemmi-residues: add option --chains	Dec 1, 2023
rmsz-help.txt		rmsz-help.txt	add function find_missing_atoms(const Topo&, bool including_hydrogen=…	Nov 4, 2023
scattering.rst		scattering.rst	edit docs/scattering.rst [skip ci]	Dec 10, 2024
set-help.txt		set-help.txt	gemmi-set: add option --select	Sep 4, 2024
sf2map-help.txt		sf2map-help.txt	gemmi sf2map --check: add column mapping as an arg, add docs	Nov 4, 2024
sfcalc-help.txt		sfcalc-help.txt	gemmi-sfcalc: added option --solvent-mask=FILE	Apr 10, 2024
sg-help.txt		sg-help.txt	gemmi-sg: add option to show map asu used by Grid	Feb 6, 2020
symmetry.rst		symmetry.rst	add Op::notation (char) that stores 'x' for x,y,z and 'h' for h,k,l	Mar 27, 2025
tags-help.txt		tags-help.txt	git tags: option --verbose prints processed block names	Dec 30, 2023
validate-help.txt		validate-help.txt	DDL2: add alternate (deposition) checks	Mar 28, 2025
wcn-help.txt		wcn-help.txt	unify option --verbose	Nov 15, 2019
xds2mtz-help.txt		xds2mtz-help.txt	add xds2mtz to documentation	Mar 22, 2023
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