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haddocking
/
pdb-tools
A dependency-free cross-platform swiss army knife for PDB files.
https://haddocking.github.io/pdb-tools/
Apache License 2.0
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CIF to PDB: issue in pdb_fromcif for predicted structures
#168
venzera
opened
2 weeks ago
0
chain renaming when converting cif to pdb
#167
zzhangzzhang
opened
3 weeks ago
0
Bump actions/download-artifact from 2 to 4.1.7 in /.github/workflows
#166
dependabot[bot]
opened
2 months ago
0
How to add insertion codes on PDB
#165
Sofia-FR
opened
6 months ago
1
Added pdb_selb to filter by B-factor values
#164
ahmedselim2017
opened
7 months ago
2
pdb_selb
#163
amjjbonvin
opened
8 months ago
0
Update build_and_test.yml to remove Py2 images.
#162
JoaoRodrigues
closed
11 months ago
3
Adds missing `ENDMDL` on `HETATM` in `pdb_tidy`
#161
joaomcteixeira
closed
11 months ago
1
pdb_tidy discards ENDMDL statements for HETATM ensembles
#160
amjjbonvin
closed
11 months ago
0
pdb_merge should discard MODEL/ENDMDL statements
#159
amjjbonvin
opened
1 year ago
0
fix bug pdb_selaltloc.py
#158
ShintaroMinami
opened
1 year ago
0
Remove support to py3.6
#157
joaomcteixeira
closed
1 year ago
0
[FEATURE] improved/corrected `pdb_selaltloc` tool
#156
joaomcteixeira
opened
1 year ago
2
`pdb_tidy` removes the `TER` record between chains and removes last `ENDMDL` in a multi-model PDB
#155
rvhonorato
opened
1 year ago
8
first draft of solution to selaltloc bug
#154
mgiulini
closed
1 year ago
7
pdb_selaltloc removes residues with (only) alternate locations
#153
mgiulini
opened
1 year ago
22
Question on `pdb_keepcoord`
#152
joaomcteixeira
closed
1 year ago
4
Inverts `-strict` behaviour in `pdb_tidy`
#151
joaomcteixeira
opened
2 years ago
0
Improve `pdb_merge` to include `TER`s and `END` lines
#150
joaomcteixeira
opened
2 years ago
13
pdb_merge not adding END statement
#149
amjjbonvin
closed
8 months ago
1
pdb_fixinsert can't handle the PDB, which has missing residue in insertion code region
#148
hw-protein
opened
2 years ago
3
Improve `pdb_mkensemble` to work as lib
#147
joaomcteixeira
opened
2 years ago
0
pdb_mkensemble includes the PDB filename when using a redirect
#146
amjjbonvin
closed
1 year ago
6
Use HEADER info if available to name FASTA records.
#145
JoaoRodrigues
closed
2 years ago
0
Implement pdb_selmodel for model selection in ensemble PDB files.
#144
JoaoRodrigues
closed
2 years ago
0
Refactor CI
#143
JoaoRodrigues
closed
2 years ago
7
Update and rename ci.yml to build_and_test.yml
#142
JoaoRodrigues
closed
2 years ago
1
Add build and coverage to every OS. Drop codecov.
#141
JoaoRodrigues
closed
2 years ago
0
Correct `pdb_tidy` when used with lists in lib
#140
joaomcteixeira
closed
2 years ago
1
Re-add Py2.7 to CI. Explicit codecov configs
#139
JoaoRodrigues
closed
2 years ago
1
Corrects `selaltloc` for python 2.7 using OrderedDict
#138
joaomcteixeira
closed
2 years ago
1
Adds missing file in `pdb_selaltloc` tests
#137
joaomcteixeira
closed
2 years ago
0
Correct behaviour and improves `selaltloc`
#136
joaomcteixeira
closed
2 years ago
0
`pdb_wc` should report the list of chain IDs of the PDB
#135
joaomcteixeira
opened
2 years ago
0
Help with badly formatted PDB file
#134
LilySnow
closed
2 years ago
3
Development suggestion: Behaviour of pdb_reres and pdb_shiftres
#133
KasperBuskPedersen
closed
2 years ago
3
Increase footer size in the web page
#132
rvhonorato
closed
2 years ago
3
Corrects behavior with `ANISOU` lines in `pdb_selaltloc`
#131
joaomcteixeira
closed
2 years ago
3
`pdb_selaltloc` is breaking with ANISOU lines for `7K2U.pdb`
#130
joaomcteixeira
closed
2 years ago
0
add MANIFEST file to better control which files are packaged to PyPI
#129
joaomcteixeira
closed
2 years ago
1
Bug in the `pdb-tools` website
#128
joaomcteixeira
closed
2 years ago
3
improve `pdb_wc` when using as library.
#127
joaomcteixeira
opened
2 years ago
0
`ValueError: invalid literal for int() with base 10: '?'` when handling `HETATM`
#126
multimeric
closed
2 years ago
7
Possible bug in Molprobity
#125
Mr-MOPAC
closed
2 years ago
4
`pdb_fetch` could return `.cif` if the `.pdb` is not available
#124
rvhonorato
closed
2 years ago
3
Better naming of pdb_tofasta entries
#123
sbliven
closed
2 years ago
2
Implement `pdb_selmodel`
#122
rvhonorato
closed
2 years ago
1
Consider HEXADECIMAL for `pdb_fromcif`
#121
joaomcteixeira
opened
2 years ago
1
`pdb_rplresname` should accept several substitutions maps
#120
joaomcteixeira
opened
2 years ago
1
Correct `MODEL`, `END` and `ENDMDL` in `pdb_tidy`
#119
joaomcteixeira
closed
2 years ago
1
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