8000 Releases · cctbx/cctbx_project · GitHub
[go: up one dir, main page]
More Web Proxy on the site http://driver.im/
Skip to content

Releases: cctbx/cctbx_project

2025.5

01 Jun 02:10
@bkpoon bkpoon
v2025.5
e905beb
Compare
Choose a tag to compare
2025.5 Latest
Latest

Release Notes

  • Added parameter for user restraints to pdb_interpretation
  • Improved barbed wire analysis, including JSON output
  • Improved consistency of handling models with hybrid36

Checksums

SHA256

c4fe8f8be5bb984146520b1c285a913ed0f21beab003ad6e79a3f6b9ac2b84c6  cctbx-2025.5.tar.gz
ea308e5ea8c6759e72df078dc998ab9fa595205167cd545edfde212c91264e75  chem_data-2025.5-pyh66f2a00_0.conda
Assets 4
Loading

2025.4

01 May 23:01
@bkpoon bkpoon
v2025.4
946cd80
Compare
Choose a tag to compare
2025.4

Release Notes

  • Improved mmCIF compatibility across programs
  • Updated amino acid residue parentage
  • Updated map preparation so both half-maps and full-maps can be used

Checksums

SHA256

513fae67333f89794f0875d31a64b6394e9e456b954dff2baedde931c22a46a4  chem_data-2025.4-pyh66f2a00_0.conda
bf6e27315f6860e42574aaa46d99438b6a831b6a85668de628279e169148bac4  cctbx-2025.4.tar.gz
Loading

2025.3

02 Apr 00:17
@bkpoon bkpoon
v2025.3
0fe3763
Compare
Choose a tag to compare
2025.3
  • Improved mmCIF compatibility across programs
  • Added more intrinsic functions to fable
  • CCTBXParser: show PHIL parameters in default help output
Loading

2025.2

01 Mar 16:09
@bkpoon bkpoon
v2025.2
427b2e9
Compare
Choose a tag to compare
2025.2
  • Add peak search to map manager
  • Add water renumbering to pdbtools
  • Update FSC calculation to use different binning
  • Add more searches for RCSB search API
  • CCTBXParser: --diff-params flag can proceed with non-local files
  • DataManager: fix bug where the default type for Miller arrays may not update correctly
Loading

2025.1

01 Feb 01:02
@bkpoon bkpoon
v2025.1
dd01dca
Compare
Choose a tag to compare
2025.1
  • Improvements to probe2
  • Fix bug where the scattering table was not kept after selecting in xray_structure
  • Update for changes in RCSB web API
Loading

2024.12

31 Dec 11:39
@bkpoon bkpoon
v2024.12
a95b190
Compare
Choose a tag to compare
2024.12
  • Added consistency checks for map_model_manager
  • Added tool for finding reference models based on sequence identity
Loading

2024.11

02 Dec 18:40
@bkpoon bkpoon
v2024.11
6fa9aa9
Compare
Choose a tag to compare
2024.11
  • Added generalized interface for LBFGS minimizer
  • Improved adding of hydrogens near links in Reduce2
Loading

2024.10

31 Oct 23:39
@bkpoon bkpoon
v2024.10
5b7f151
Compare
Choose a tag to compare
2024.10
  • Added support for Python 3.13
  • Improved tools for alternate conformations
  • Added option to download maps from the EMDB to iotbx.fetch_pdb
  • Fix random selection of atoms to consistently select the same number of atoms
Loading

2024.9

01 Oct 18:08
@bkpoon bkpoon
v2024.9
c0ef0d7
Compare
Choose a tag to compare
2024.9
  • Added general minimizer class for LBFGS and LBFGS-B minimizers
  • Enabled linking of modified amino acids for cyclic peptides
  • Added functions for parsing .geo files
Loading

2024.8

01 Sep 21:55
@bkpoon bkpoon
v2024.8
8149b85
Compare
Choose a tag to compare
2024.8
  • Speed improvements to pdb_interpretation
  • DataManager: add sanity check for specified resolution limits
Loading
0