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cctbx
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cctbx_project
Computational Crystallography Toolbox
https://cci.lbl.gov/docs/cctbx
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Replace (unmaintained) orderedset with ordered_set
#1020
rolandmas
opened
6 days ago
2
[2024.8.3] SyntaxWarning: invalid escape sequence
#1019
picca
opened
1 week ago
7
[2024.8.3] cctbx test suite is not compatible with Python3.12
#1018
picca
closed
1 week ago
2
September 2024 release (2024.9)
#1017
bkpoon
closed
1 day ago
0
Potential problem with **get_specific_ion_radius**: type_energies and atoms in model may be indexed differently when ions are not processed into type_energies
#1016
rwxayheee
opened
3 weeks ago
2
Remove trailing slash in HDF5 download url
#1015
viljarjf
opened
3 weeks ago
2
Mm24 correlation bug fix
#1014
dwmoreau
closed
3 weeks ago
0
Pull chem_data for molprobity builder now that it is available public…
#1013
russell-taylor
closed
3 weeks ago
0
Don't shift the coordinates when doing box and shift for Reduce2
#1012
russell-taylor
closed
3 weeks ago
0
Questions about using reduce2 as a standalone program
#1011
rwxayheee
closed
3 weeks ago
9
Make `mpi_helper`'s method non-rooted if `root=None`
#1010
Baharis
closed
4 weeks ago
0
Ribbons2
#1009
russell-taylor
closed
1 month ago
1
August 2024 release (2024.8)
#1008
bkpoon
closed
3 weeks ago
0
Ribbons
#1007
russell-taylor
closed
1 month ago
0
Make cc1/2 in cctbx.xfel.merge deterministic
#1006
phyy-nx
opened
1 month ago
0
New cctbx.xfel.merge worker for computing and filtering on ΔCC½
#1005
phyy-nx
closed
1 month ago
5
Bootstrap fails using --use-conda on MacOS
#1004
luc-j-bourhis
closed
3 weeks ago
12
"Truncate" XFEL expts/refls based on aggregated statistics
#1003
Baharis
closed
2 months ago
5
Replace `dict` with `Counter` in the postrefine worker
#1002
Baharis
closed
2 months ago
0
Sanitize postrefinement results based on scaled intensities
#1001
Baharis
closed
2 months ago
1
July 2024 release (2024.7)
#1000
bkpoon
closed
2 months ago
0
Don't `self.params.input.path = None` after `list_input_pairs` on rank0
#999
Baharis
closed
2 months ago
0
Cannot read Pickle output from EmRinger
#998
fede-pe
opened
3 months ago
0
build a development version on Windows 11, and use it on Visual Studio 2022 by C++
#997
Thomas-yunhui
opened
3 months ago
4
boost.python did not match C++
#996
Thomas-yunhui
closed
2 months ago
4
June 2024 release (2024.6)
#995
bkpoon
closed
3 months ago
0
Monitor resource usage
#994
Baharis
closed
3 months ago
15
May 2024 release (2024.5)
#993
bkpoon
closed
3 months ago
0
XFEL GUI updates
#992
phyy-nx
closed
4 months ago
2
Mpi helper counter
#991
Baharis
closed
4 months ago
1
fixes geometry refinement
#990
dermen
closed
5 months ago
0
April 2024 release (2024.4)
#989
bkpoon
closed
5 months ago
0
Undowser2
#988
russell-taylor
closed
5 months ago
3
Undowser2
#987
russell-taylor
closed
5 months ago
1
Version 2.4.0 of Reduce2 only outputs a single model if it is only op…
#986
russell-taylor
closed
5 months ago
0
Gauss star gonio
#985
dermen
opened
5 months ago
10
Is there any recommended environment for building a development version?
#984
erjiaxiao
opened
5 months ago
4
Memory policy
#983
nksauter
opened
5 months ago
2
Reduce2 updates
#982
russell-taylor
closed
6 months ago
1
Clashscore2
#981
russell-taylor
closed
6 months ago
0
Migrate `gltbx` to use `pyopengl`
#980
bkpoon
closed
6 months ago
3
gltbx: Windows failure with Python => 3.8
#979
bkpoon
closed
6 months ago
1
March 2024 release (2024.3)
#978
bkpoon
closed
6 months ago
0
Fix miller array `repr` when `label_string()` returns `None`
#977
dagewa
closed
6 months ago
0
Always retain the correlation coefficient for MM24 error model.
#976
dwmoreau
closed
6 months ago
0
DLpack interface for Kokkos to pytorch
#975
Trzs
opened
6 months ago
0
Construct Clashscore2 that uses Probe2 and Reduce2
#974
russell-taylor
closed
6 months ago
1
Update branch to master
#973
dwmoreau
closed
6 months ago
0
March 2024 release (2024.3)
#972
bkpoon
closed
7 months ago
0
February 2024 release (2024.2)
#971
bkpoon
closed
6 months ago
0
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