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3DFI-v1.0.0
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@Pombert-JF Pombert-JF released this 13 May 13:04
· 31 commits to master since this release
1.0.0
39d704b
  • Added support for MICAN-SQ
  • Added support for Foldseek structural homology searches (now set as default instead of GESAMT in run_3DFI.pl)
  • Mican and Foldseek are installed automatically with setup_3DFI.pl
  • Foldseek RCSB database can be created automatically with create_3DFI_db.pl
  • Fixed a bug where ChimeraX alignments for visualization were not generated if # of matches == 1
  • Switched to ChimeraX 1.3+ ## APIs 1.2.5 and 1.3 are not compatible
  • Added -3dh command line option to run_3DFI.pl [3D folding + homology; no (pre)-visualization step with ChimeraX]
  • Updated AlphaFold fork to version 2.2 + added new NVIDIA signing keys (2022) to its Dockerfile
  • Minor cosmetic changes for readability
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