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samirelanduk
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atomium
Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
https://atomium.bio
MIT License
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PDB format output with numbers as chain ID
#43
fwaibl
opened
1 year ago
2
Error with save
#42
emarsh25
opened
1 year ago
1
Standalone version of atomium
#41
BradyAJohnston
opened
2 years ago
2
Auto-creation of bonds.
#40
BradyAJohnston
opened
2 years ago
11
Adds atomic numbers
#39
FilipeMaia
closed
2 years ago
2
Add atomic number information
#38
FilipeMaia
opened
2 years ago
0
Add chain annotation from COMPND and SOURCE records
#37
mnahinkhan
closed
2 years ago
1
Getting the Residue to which an Atom belongs
#36
mnahinkhan
closed
2 years ago
2
Atomimu should not depend on `strptime` for parse date in PDB
#35
Czaki
opened
2 years ago
1
the "add_secondary_structure_to_polymers" function in the mmcif.py module only recognises single-letter chain identifiers
#34
FunkTipp
closed
3 years ago
2
getting the residue details from an atom
#33
rbf22
closed
3 years ago
3
Zero-pad pdb temperature factor
#32
hippolytej
closed
3 years ago
1
Loading 6LU7 from mmtf fails in decode_dict
#31
zacharyrs
closed
3 years ago
1
HETATM records change to ATOM when saving model
#30
hippolytej
closed
3 years ago
1
Unable to write atoms with negative residue id
#29
staszekdh
closed
3 years ago
2
Calculate RMSD between sets of atoms as well as between structures
#28
samirelanduk
opened
3 years ago
0
KeyError: 'branched' when fetching some pdb files
#27
NicoBio
closed
3 years ago
2
gzip integration
#26
juvilius
closed
4 years ago
1
TER line doesn't comply to PDB TER records spec
#25
Koesed96
opened
4 years ago
3
Add option for offline mirror of PDB
#24
samirelanduk
opened
4 years ago
1
Chains are not assigned to ligands in mmCIF files where label_asym_id and auth_asym_id are swapped
#23
samirelanduk
opened
4 years ago
0
Converting PDB/mmft with a specific dict
#22
chaconlab
closed
3 years ago
2
Create conda package as well as pypi
#21
samirelanduk
closed
4 years ago
5
Copying chains destroys connectivity information
#20
samirelanduk
closed
5 years ago
0
Expression System should never be '?'
#19
samirelanduk
closed
5 years ago
0
atomium breaks on RCSB generated assembly files
#18
samirelanduk
opened
5 years ago
0
Implement slots in class Atom to reduce memory usage in huge structures
#17
samirelanduk
closed
5 years ago
1
Get PDB files from remote machines
#16
gf712
closed
6 years ago
2
Parsing the Rfree Value
#15
jonathanrd
closed
6 years ago
1
README error
#14
jonathanrd
closed
6 years ago
1
Re-implement orientation to axes and planes
#13
samirelanduk
opened
6 years ago
0
Implement full residue names
#12
samirelanduk
closed
6 years ago
0
Implement parallel processing
#11
samirelanduk
opened
6 years ago
3
Site calculation should have option for ignoring main chain atoms
#10
samirelanduk
closed
6 years ago
0
Create function to save string over multiple PDB records
#9
samirelanduk
closed
6 years ago
1
Add clustering of chains into complexes
#8
samirelanduk
closed
6 years ago
0
Saving TITLE records breaks in the middle of words
#7
samirelanduk
closed
6 years ago
0
Parser crashes when trying to fetch multi-file PDBs
#6
samirelanduk
closed
6 years ago
0
Structures can't handle negative temperature factors
#5
samirelanduk
closed
6 years ago
0
PDB parser interprets numerical molecule names as integers and not strings
#4
samirelanduk
closed
6 years ago
0
PDB file saving needs speeding up
#3
samirelanduk
closed
6 years ago
3
implemented angle_with method
#2
gf712
closed
6 years ago
1
Implement bond angles
#1
samirelanduk
closed
6 years ago
0