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haddocking
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haddock-restraints
Generate restraints to be used in HADDOCK
https://bonvinlab.org/haddock-restraints
MIT License
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Update installation instructions
#25
rvhonorato
closed
4 days ago
0
Specify atom subsets
#24
rvhonorato
closed
4 days ago
0
add `release.yml` action
#23
rvhonorato
closed
2 weeks ago
0
Specify atom subsets
#22
rvhonorato
closed
4 days ago
0
Replace `freesasa-rs` with `rust-sasa`
#21
rvhonorato
closed
3 weeks ago
0
Expand documentation on how to set distances in the `tbl` configuration file
#20
rvhonorato
closed
3 weeks ago
0
Add option to define distance limits in the `ti` interface
#19
rvhonorato
closed
3 weeks ago
0
Update readme and bump version
#18
rvhonorato
closed
1 month ago
0
process pdb before loading it
#17
rvhonorato
closed
1 month ago
0
Pad lines before parsing pdb
#16
rvhonorato
closed
1 month ago
0
add docstrings
#15
rvhonorato
closed
1 month ago
0
add Z subcommand
#14
rvhonorato
closed
1 month ago
0
Refactor restraint bodies
#12
rvhonorato
closed
1 month ago
0
Refactor `restraint-bodies`
#11
rvhonorato
closed
1 month ago
0
Pad lines before parsing PDB
#10
rvhonorato
closed
1 month ago
1
Remove haddock specific records from PDB before parsing
#9
rvhonorato
closed
1 month ago
0
Add user-guide
#8
rvhonorato
closed
3 months ago
0
Add usage examples
#7
rvhonorato
closed
3 months ago
0
handle lack of relative accessibility information
#6
rvhonorato
closed
3 months ago
0
Allow for relative paths in `read_json_file`
#5
rvhonorato
closed
3 months ago
0
add command `interface` to extract list of residues that are in a given interface
#4
rvhonorato
closed
3 months ago
0
Add command to extract list of residues that are in a given interface
#3
rvhonorato
closed
3 months ago
0
Handle scenario where Nucleic molecules are passed to `calculate_sasa`
#2
rvhonorato
closed
3 months ago
0
Allow `structure` path `tbl` command to be relative
#1
rvhonorato
closed
3 months ago
0
Z-surface and restraints definition
#13
VGPReys
closed
1 month ago
2