samirelanduk/atomium

Issues

• Auto-creation of bonds.

  #40 opened 3 years ago by BradyAJohnston
  11

• PDB format output with numbers as chain ID

  #43 opened 2 years ago by fwaibl
  2

• Error with save

  #42 opened 2 years ago by emarsh25
  1

• Standalone version of atomium

  #41 opened 3 years ago by BradyAJohnston
  2

• Add atomic number information

  #38 opened 3 years ago by FilipeMaia
  0

• Getting the Residue to which an Atom belongs

  #36 opened 3 years ago by mnahinkhan
  2

• Atomimu should not depend on `strptime` for parse date in PDB

  #35 opened 3 years ago by Czaki
  1

• Converting PDB/mmft with a specific dict

  #22 opened 3 years ago by chaconlab
  2

• the "add_secondary_structure_to_polymers" function in the mmcif.py module only recognises single-letter chain identifiers

  #34 opened 4 years ago by FunkTipp
  2

• getting the residue details from an atom

  #33 opened 4 years ago by rbf22
  3

• Zero-pad pdb temperature factor

  #32 opened 4 years ago by hippolytej
  1

• Loading 6LU7 from mmtf fails in decode_dict

  #31 opened 4 years ago by zacharyrs
  1

• HETATM records change to ATOM when saving model

  #30 opened 4 years ago by hippolytej
  1

• Unable to write atoms with negative residue id

  #29 opened 4 years ago by staszekdh
  2

• Calculate RMSD between sets of atoms as well as between structures

  #28 opened 4 years ago by samirelanduk
  0

• KeyError: 'branched' when fetching some pdb files

  #27 opened 4 years ago by NicoBio
  2

• Add option for offline mirror of PDB

  #24 opened 5 years ago by samirelanduk
  1

• TER line doesn't comply to PDB TER records spec

  #25 opened 5 years ago by Koesed96
  3

• Create conda package as well as pypi

  #21 opened 5 years ago by samirelanduk
  5

• Chains are not assigned to ligands in mmCIF files where label_asym_id and auth_asym_id are swapped

  #23 opened 5 years ago by samirelanduk
  0

• Expression System should never be '?'

  #19 opened 6 years ago by samirelanduk
  0

• Copying chains destroys connectivity information

  #20 opened 6 years ago by samirelanduk
  0

• Implement slots in class Atom to reduce memory usage in huge structures

  #17 opened 6 years ago by samirelanduk
  1

• atomium breaks on RCSB generated assembly files

  #18 opened 6 years ago by samirelanduk
  0

• Implement parallel processing

  #11 opened 7 years ago by samirelanduk
  3

• Get PDB files from remote machines

  #16 opened 6 years ago by gf712
  2

• Add clustering of chains into complexes

  #8 opened 7 years ago by samirelanduk
  0

• Create function to save string over multiple PDB records

  #9 opened 7 years ago by samirelanduk
  1

• Parsing the Rfree Value

  #15 opened 7 years ago by jonathanrd
  1

• Saving TITLE records breaks in the middle of words

  #7 opened 7 years ago by samirelanduk
  0

• README error

  #14 opened 7 years ago by jonathanrd
  1

• Site calculation should have option for ignoring main chain atoms

  #10 opened 7 years ago by samirelanduk
  0

• Implement full residue names

  #12 opened 7 years ago by samirelanduk
  0

• Re-implement orientation to axes and planes

  #13 opened 7 years ago by samirelanduk
  0

• Parser crashes when trying to fetch multi-file PDBs

  #6 opened 7 years ago by samirelanduk
  0

• PDB parser interprets numerical molecule names as integers and not strings

  #4 opened 7 years ago by samirelanduk
  0

• PDB file saving needs speeding up

  #3 opened 7 years ago by samirelanduk
  3

• Structures can't handle negative temperature factors

  #5 opened 7 years ago by samirelanduk
  0

• Implement bond angles

  #1 opened 7 years ago by samirelanduk
  0