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44 Open 106 Closed
44 Open 106 Closed
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Issues list

Test CCTBX transformers on ligand synthetic data
#470 opened Sep 19, 2024 by jessicaflowers
Numpy error in complete residue
#468 opened Sep 15, 2024 by stephaniewankowicz
Clashing of side chain oxygens
#465 opened Sep 3, 2024 by stephaniewankowicz
Improve bulk solvent level
#447 opened Jul 9, 2024 by stephaniewankowicz
generate individual polder maps around residues or segments
#439 opened Jun 24, 2024 by stephaniewankowicz
@fraserlab
Put REMARK in qFit PDB
#406 opened Mar 4, 2024 by stephaniewankowicz
Future enhancement for qFit ligand enhancement New feature or request
#397 opened Jan 31, 2024 by jessicaflowers
HETATMS missing from multiconformer_model2
#392 opened Jan 25, 2024 by stephaniewankowicz
Duplicate HETATMS
#355 opened Jun 26, 2023 by stephaniewankowicz
Restructure B-factors
#353 opened Jun 20, 2023 by stephaniewankowicz
qFit-protein is sampling density from the symmetry mate
#352 opened Jun 16, 2023 by aks-1113
Create a Read the Docs
#350 opened Jun 12, 2023 by stephaniewankowicz
Test & improve metrics for removing low density conformations
#346 opened Jun 8, 2023 by stephaniewankowicz
@stephaniewankowicz
2
Create a test for qFit EM
#338 opened May 3, 2023 by stephaniewankowicz
1
qFit does not sample backbone if segment is less than 7 residues long
#331 opened Apr 26, 2023 by stephaniewankowicz
Toggle RMSD cutoff values based on resolution enhancement New feature or request
#299 opened Dec 22, 2022 by stephaniewankowicz
qFit residues going into neighboring density
#293 opened Dec 9, 2022 by stephaniewankowicz
@stephaniewankowicz
Duplicate conformations not collapsed in qfit_protein output-2NLV Tyr18, ChainA
#290 opened Nov 13, 2022 by ss199514
We do not test qFit segment, IK, or SA in tests
#270 opened Oct 6, 2022 by stephaniewankowicz
CCTBX Conversion: Map functions
#236 opened Jul 17, 2022 by stephaniewankowicz
CCTBX Conversion: Re-write all structure objects CCTBX enhancement New feature or request
#235 opened Jul 17, 2022 by stephaniewankowicz
@natechols
CCTBX Conversion: Small changes in qfit.py CCTBX enhancement New feature or request
#234 opened Jul 17, 2022 by stephaniewankowicz
CCTBX Conversion: Transformation/F-calc function CCTBX enhancement New feature or request
#233 opened Jul 17, 2022 by stephaniewankowicz
@natechols
CCTBX Conversion: Writing Maps CCTBX enhancement New feature or request priority:3-high
#207 opened May 4, 2022 by stephaniewankowicz
@natechols
CCTBX Conversion: Read in mmCIF files CCTBX enhancement New feature or request priority:3-high
#206 opened May 4, 2022 by stephaniewankowicz
@natechols
1
ProTip! What’s not been updated in a month: updated:<2024-09-24.