Ecosyste.ms: Issues

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GitHub / pdbeurope/ccdutils issues and pull requests

#29 - Bump jinja2 from 3.1.4 to 3.1.5

Pull Request - State: open - Opened by dependabot[bot] about 2 months ago
Labels: dependencies

#28 - Resolves bugs in writing cif file and parity similarity calculation

Pull Request - State: closed - Opened by roshkjr 4 months ago

#27 - Fix typos and formatting in README.md

Pull Request - State: closed - Opened by amorehead 9 months ago

#26 - Is cofactors can be identified precisely？

Issue - State: open - Opened by leaves520 11 months ago

#25 - PDBE-6878: Sort nodes of graph based on residue id and chain

Pull Request - State: closed - Opened by roshkjr 11 months ago

#24 - Return non sanitised mol if the sanitisation fails

Pull Request - State: closed - Opened by roshkjr over 1 year ago

#23 - Added new unichem resources

Pull Request - State: closed - Opened by roshkjr over 1 year ago

#22 - Added setter methods to pdbx_release_status and modified_date of component

Pull Request - State: closed - Opened by roshkjr over 1 year ago - 1 comment

#21 - Resolves issues with missing outfile_prefix while processing CLC

Pull Request - State: closed - Opened by roshkjr over 1 year ago

#20 - Writes PRD code for chem_comp in CIF and PRDCC code for filename

Pull Request - State: closed - Opened by roshkjr over 1 year ago

#19 - Improving depiction diagrams for dative bonds to metal (like HEM)

Pull Request - State: closed - Opened by osmart over 1 year ago - 8 comments

#18 - Ccd clc prd processing: Added version number

Pull Request - State: closed - Opened by roshkjr over 1 year ago

#17 - Ccd clc prd processing

Pull Request - State: closed - Opened by sreenathnair over 1 year ago

#16 - Bumped up version

Pull Request - State: closed - Opened by sreenathnair over 1 year ago

#15 - Added processing of PRD and CLC

Pull Request - State: closed - Opened by roshkjr over 1 year ago

#14 - Cherry picked commits from PDBE-5508

Pull Request - State: closed - Opened by roshkjr over 1 year ago

#13 - Resolve PDBE-5508

Pull Request - State: closed - Opened by roshkjr over 1 year ago

#12 - Pdbecif correction

Pull Request - State: closed - Opened by roshkjr almost 2 years ago - 8 comments

#12 - Pdbecif correction

Pull Request - State: closed - Opened by roshkjr almost 2 years ago - 8 comments

#10 - Invalid CIF for missing values in _pdbe_chem_comp_substructure.substructure_inchis

Issue - State: closed - Opened by osmart almost 2 years ago - 3 comments

#9 - Resolve Pdbe 5219

Pull Request - State: closed - Opened by roshkjr almost 2 years ago

#9 - Resolve Pdbe 5219

Pull Request - State: closed - Opened by roshkjr almost 2 years ago

#8 - Merge Pdbe 5219

Pull Request - State: closed - Opened by roshkjr almost 2 years ago

#8 - Merge Pdbe 5219

Pull Request - State: closed - Opened by roshkjr almost 2 years ago

#7 - Add job to publish to PyPI

Pull Request - State: closed - Opened by otienoanyango almost 2 years ago

#7 - Add job to publish to PyPI

Pull Request - State: closed - Opened by otienoanyango almost 2 years ago

#6 - Deploy to PyPI on tag creation

Issue - State: closed - Opened by otienoanyango almost 2 years ago

#6 - Deploy to PyPI on tag creation

Issue - State: closed - Opened by otienoanyango almost 2 years ago

#5 - Resolve Pdbe 5219

Pull Request - State: closed - Opened by roshkjr almost 2 years ago

#5 - Resolve Pdbe 5219

Pull Request - State: closed - Opened by roshkjr almost 2 years ago

#4 - Pdbe 5219

Pull Request - State: closed - Opened by roshkjr about 2 years ago

#2 - Dev

Pull Request - State: closed - Opened by lpravda almost 4 years ago

#2 - Dev

Pull Request - State: closed - Opened by lpravda almost 4 years ago

#1 - rdkit-2021

Pull Request - State: closed - Opened by lpravda almost 4 years ago