Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / DeepRank/pdb2sql issues and pull requests
#87 - pdb2sql.transform.rot_mat does not allow to set center
Issue -
State: open - Opened by LilySnow over 1 year ago
#86 - Refactor StructureSimilarity
Issue -
State: open - Opened by NicoRenaud over 1 year ago
- 2 comments
Labels: stale
#85 - compute_lrmsd_pdb2sql works only if there is no missing backbone atom
Issue -
State: open - Opened by FarzanehParizi over 1 year ago
- 9 comments
Labels: stale
#84 - add pdb matching function
Issue -
State: open - Opened by LilySnow almost 2 years ago
- 1 comment
Labels: stale
#83 - pdb2sql selects one alternative location for atoms
Issue -
State: open - Opened by FarzanehParizi almost 2 years ago
- 3 comments
Labels: stale
#82 - Fix lrmsd
Pull Request -
State: closed - Opened by NicoRenaud almost 2 years ago
- 3 comments
Labels: stale
#81 - Make the format of the PDB flexible so that we can read ZDOCK file
Pull Request -
State: closed - Opened by NicoRenaud almost 2 years ago
- 4 comments
Labels: stale
#80 - Iss76 nico
Pull Request -
State: closed - Opened by NicoRenaud almost 2 years ago
- 5 comments
Labels: stale
#79 - allow compute_irmsd_fast to process multiple chain pdbs
Pull Request -
State: closed - Opened by LilySnow almost 2 years ago
- 3 comments
Labels: stale
#78 - the atom order is independent of the returned values, which should not be the case
Issue -
State: closed - Opened by DTRademaker almost 2 years ago
- 4 comments
Labels: stale
#77 - compute_irmsd_fast() and compute_irmsd_pdb2sql() give very different RMSD
Issue -
State: closed - Opened by LilySnow almost 2 years ago
- 1 comment
#76 - compute_irmsd_fast() only works on two chains
Issue -
State: open - Opened by LilySnow almost 2 years ago
- 6 comments
#75 - when superposing without defining the chainID, the error 'NameError: name 'warnings' is not defined', instead of printing the warning itself
Issue -
State: closed - Opened by reneejoosten about 2 years ago
- 3 comments
#74 - pdb line is longer than 80
Issue -
State: closed - Opened by LilySnow about 2 years ago
- 7 comments
Labels: stale
#73 - Getting different results for irmsd, if the chain identifiers are in different order
Issue -
State: closed - Opened by Smarti92 about 2 years ago
- 3 comments
Labels: stale
#72 - Update pdb2sqlcore.py
Pull Request -
State: closed - Opened by DTRademaker over 2 years ago
- 16 comments
Labels: stale
#71 - Update pdb2sqlcore.py
Pull Request -
State: closed - Opened by DTRademaker over 2 years ago
#70 - CITATION.cff fix and automatic validation of your citation metadata
Pull Request -
State: closed - Opened by abelsiqueira over 2 years ago
#69 - Fix python errors in doc
Issue -
State: closed - Opened by CunliangGeng over 2 years ago
- 1 comment
#68 - Fix a bug in StructureSimilarity.py
Pull Request -
State: closed - Opened by DarioMarzella about 3 years ago
- 1 comment
#67 - Update StructureSimilarity.py
Pull Request -
State: closed - Opened by manonreau about 3 years ago
#66 - enable missing residues at the interface in the rmsd calc
Pull Request -
State: closed - Opened by manonreau about 3 years ago
- 4 comments
#65 - Upgrade to GitHub-native Dependabot
Pull Request -
State: closed - Opened by dependabot-preview[bot] about 3 years ago
- 1 comment
Labels: dependencies
#64 - Update compute_CapriClass conditions
Pull Request -
State: closed - Opened by CunliangGeng over 3 years ago
#63 - wrong assignment of CAPRI classes
Issue -
State: closed - Opened by taras-stx over 3 years ago
- 3 comments
#62 - Move to github actions
Pull Request -
State: closed - Opened by CunliangGeng over 3 years ago
#61 - Dependabot couldn't authenticate with https://pypi.python.org/simple/
Issue -
State: closed - Opened by dependabot-preview[bot] almost 4 years ago
#60 - remove hardcoded chainIDs from StructureSimilarity.py
Pull Request -
State: closed - Opened by CunliangGeng almost 4 years ago
#59 - Issue55
Pull Request -
State: closed - Opened by CunliangGeng about 4 years ago
#58 - StructureSimilarity "Matrix don't have the same number of points" between two matched files
Issue -
State: closed - Opened by DarioMarzella about 4 years ago
- 3 comments
#57 - StructureSimilarity.compute_lrmsd_fast() and StructureSimilarity.compute_lrmsd_fast() provide different results
Issue -
State: closed - Opened by DarioMarzella about 4 years ago
- 3 comments
Labels: stale
#56 - Update doc on structureSimilarity methods
Issue -
State: closed - Opened by CunliangGeng about 4 years ago
- 3 comments
Labels: stale
#55 - Please add backbone selection to compute_lrmsd_pdb2sql()
Issue -
State: closed - Opened by DarioMarzella about 4 years ago
- 4 comments
#54 - small grammar changes and minor bib fix
Pull Request -
State: closed - Opened by danielskatz about 4 years ago
#53 - Update version
Pull Request -
State: closed - Opened by CunliangGeng about 4 years ago
- 1 comment
#52 - Issue51
Pull Request -
State: closed - Opened by CunliangGeng about 4 years ago
- 2 comments
#51 - many2pdb arguments type check
Issue -
State: closed - Opened by CunliangGeng about 4 years ago
#50 - Issue49
Pull Request -
State: closed - Opened by NicoRenaud about 4 years ago
#49 - structure similarity fails if the chains are not called A and B
Issue -
State: closed - Opened by NicoRenaud about 4 years ago
#48 - Add Paths to test folder
Pull Request -
State: closed - Opened by joaomcteixeira about 4 years ago
- 3 comments
#47 - Tests fail or not found
Issue -
State: closed - Opened by joaomcteixeira about 4 years ago
- 2 comments
#46 - [WIP] Many2SQL
Pull Request -
State: closed - Opened by NicoRenaud about 4 years ago
#45 - updated doc
Pull Request -
State: closed - Opened by NicoRenaud about 4 years ago
- 3 comments
#44 - compute_lrmsd_fast() does not report proper error message on pdb files with non-amino acids in ATOM section
Issue -
State: closed - Opened by LilySnow about 4 years ago
- 4 comments
Labels: stale
#43 - Issue41 : returns class instance
Pull Request -
State: closed - Opened by NicoRenaud about 4 years ago
- 1 comment
#42 - fix potential bug of column names in sql2pdb
Pull Request -
State: closed - Opened by CunliangGeng about 4 years ago
#41 - returns class instance
Issue -
State: closed - Opened by NicoRenaud about 4 years ago
#40 - Issue35-39
Pull Request -
State: closed - Opened by CunliangGeng about 4 years ago
- 1 comment
#39 - update commit method to private
Issue -
State: closed - Opened by CunliangGeng about 4 years ago
#38 - Update docstring of pdb2sql.exportpdb
Issue -
State: closed - Opened by CunliangGeng about 4 years ago
#37 - Update documentation about HETATM
Issue -
State: closed - Opened by CunliangGeng about 4 years ago
#36 - improve print
Issue -
State: closed - Opened by CunliangGeng about 4 years ago
#35 - provide info for help(pdb2sql)
Issue -
State: closed - Opened by CunliangGeng about 4 years ago
#34 - Issue30 33 path as input
Pull Request -
State: closed - Opened by CunliangGeng about 4 years ago
#33 - minor typo documentation
Issue -
State: closed - Opened by joaomcteixeira about 4 years ago
#32 - Allow pdb2sql to read string data
Issue -
State: closed - Opened by joaomcteixeira about 4 years ago
#31 - Proper error message when fetching CIF files
Issue -
State: closed - Opened by joaomcteixeira about 4 years ago
#30 - pdb2sql read Path from pathlib
Issue -
State: closed - Opened by joaomcteixeira about 4 years ago
#29 - update doc with the new align feature
Issue -
State: closed - Opened by LilySnow about 4 years ago
- 5 comments
Labels: stale
#28 - Orient
Issue -
State: closed - Opened by NicoRenaud over 4 years ago
- 1 comment
#27 - [WIP] Align
Pull Request -
State: closed - Opened by NicoRenaud over 4 years ago
#26 - Update paper doc
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#25 - Solve issue 21-24 and related ones
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
- 1 comment
#24 - CONTRIBUTING.rst is not for this project
Issue -
State: closed - Opened by JoaoRodrigues over 4 years ago
#23 - Inconsistency in imports between documentation and quick example
Issue -
State: closed - Opened by JoaoRodrigues over 4 years ago
#22 - Unclear warning messages on PDB read.
Issue -
State: closed - Opened by JoaoRodrigues over 4 years ago
#21 - Installation: unused dependencies in setup.py
Issue -
State: closed - Opened by JoaoRodrigues over 4 years ago
#20 - add new badges
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#19 - Create .zenodo.json
Pull Request -
State: closed - Opened by jspaaks over 4 years ago
#18 - Create CITATION.cff
Pull Request -
State: closed - Opened by jspaaks over 4 years ago
#17 - Paper
Pull Request -
State: closed - Opened by NicoRenaud over 4 years ago
- 1 comment
#16 - Update docstrings
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#15 - add doc
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#14 - Unittest structure similarity
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#13 - Unittest interface
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#12 - Unittest pdb2sql
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#11 - update pdb2sqlcore and add unittests
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#10 - Add unit test for transform
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#9 - Use Codacy (or other code quality check)
Issue -
State: closed - Opened by NicoRenaud over 4 years ago
- 1 comment
#8 - Update read and write
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
- 2 comments
#7 - Just formatting of code
Pull Request -
State: closed - Opened by CunliangGeng over 4 years ago
#6 - refactor with base class
Pull Request -
State: closed - Opened by NicoRenaud almost 5 years ago
#5 - Continuous integration
Issue -
State: closed - Opened by NicoRenaud almost 5 years ago
- 1 comment
#4 - pytest failed
Issue -
State: closed - Opened by LilySnow about 5 years ago
- 4 comments
#3 - Multiple interface
Pull Request -
State: closed - Opened by NicoRenaud over 5 years ago
#2 - Import (rename pdb2sql.py)
Issue -
State: closed - Opened by NicoRenaud almost 6 years ago
- 1 comment
#1 - shall we write an installation instruction in the README?
Issue -
State: closed - Opened by LilySnow almost 6 years ago
- 4 comments