rigdenlab/SIMBAD

Issues

• Progress bar / time estimate for ongoing runs

  #135 opened 4 years ago by rkrutyholowa
  1

• Improve code coverage

  #130 opened 4 years ago by hlasimpk
  0

• Refactor code to use Gemmi instead of CCTBX where possible

  #124 opened 4 years ago by hlasimpk
  0

• Refactor rotation function code

  #113 opened 4 years ago by hlasimpk
  0

• Explore using numba and cython

  #116 opened 5 years ago by hlasimpk
  4

• Refactor code to keep more things in memory

  #115 opened 5 years ago by hlasimpk
  2

• Update SIMBAD to use new MrBUMP modular code

  #86 opened 5 years ago by hlasimpk
  0

• Molecular weight error

  #95 opened 6 years ago by hlasimpk
  1

• SIMBAD lattice database update not collecting all results

  #96 opened 6 years ago by hlasimpk
  1

• Update SIMBAD to use new pyjob

  #85 opened 6 years ago by hlasimpk
  0

• Exclude dictionaries for constant storage with enum34

  #81 opened 7 years ago by fsimkovic
  0

• Add publications tab to website

  #67 opened 7 years ago by hlasimpk
  1

• Automatically update SIMBAD databases on a weekly basis

  #72 opened 7 years ago by fsimkovic
  0

• Update Niggli database in root directories

  #70 opened 7 years ago by fsimkovic
  2

• CCP4i GUI returns FAILED status code for unsuccessful search

  #71 opened 7 years ago by fsimkovic
  0

• Update how DANO maps are evaluated

  #52 opened 7 years ago by hlasimpk
  0

• Incorrect PyJOB keyword argument

  #64 opened 7 years ago by fsimkovic
  3

• Problem processing downloaded PDBs

  #61 opened 7 years ago by hlasimpk
  0

• Messages to STDOUT/STDERR caught by logger when uninitialized

  #21 opened 7 years ago by fsimkovic
  1

• Add -tab_prefix for JScoFe

  #48 opened 7 years ago by hlasimpk
  0

• Move amore argparse argument

  #45 opened 7 years ago by fsimkovic
  0

• Bug in lattice search

  #42 opened 7 years ago by fsimkovic
  0

• Molrep parser cannot read line

  #44 opened 7 years ago by fsimkovic
  0

• simbad-morda and simbad-full scripts crash

  #46 opened 7 years ago by fsimkovic
  0

• SIMBAD unable to import iotbx.pdb.mining

  #38 opened 7 years ago by fsimkovic
  1

• Docs are not rendering

  #35 opened 7 years ago by fsimkovic
  0

• Define and use path variables across modules

  #19 opened 7 years ago by fsimkovic
  1

• Score classes require attributes for search model-associated files

  #20 opened 7 years ago by fsimkovic
  0

• Deletion of AMORE temp files after job execution

  #22 opened 7 years ago by fsimkovic
  0

• Improve script generation.

  #16 opened 7 years ago by hlasimpk
  3

• Add Example data

  #3 opened 8 years ago by fsimkovic
  10

• ReadTheDocs _static path not found

  #12 opened 8 years ago by fsimkovic
  1

• Unwanted error messages

  #14 opened 8 years ago by hlasimpk
  3

• Contaminants folder missing from SIMBAD egg

  #13 opened 8 years ago by hlasimpk
  1

• Refmac log not found for unsuccessful MR runs

  #15 opened 8 years ago by fsimkovic
  0

• Contaminant list storage and creation

  #10 opened 8 years ago by rmk65
  0

• Add Documentation

  #6 opened 8 years ago by fsimkovic
  1

• AmoreRotationScore variable referenced before assignment

  #9 opened 8 years ago by fsimkovic
  4

• amore_search return_z_score_results doe not return anything

  #8 opened 8 years ago by fsimkovic
  3

• Setup.py script

  #1 opened 8 years ago by fsimkovic
  2

• setup.py automated installation

  #5 opened 8 years ago by hlasimpk
  16

• Dictionary object is missing attribute `d`

  #7 opened 8 years ago by fsimkovic
  1

• Add documentation

  #2 opened 8 years ago by fsimkovic
  1

• Default for work_dir missing

  #4 opened 8 years ago by fsimkovic
  1