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24 Open 91 Closed
24 Open 91 Closed
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Issues list

Can't serialize MoleculeSetup dihedrals to JSON
#151 opened Aug 14, 2024 by diogomart
Covalent Docking
#146 opened Aug 8, 2024 by kunal19977835
19
remove openbabel for v0.6
#145 opened Jul 31, 2024 by diogomart Meeko Refactoring Project
Redo Flexibility Model Structure in Meeko refactor Improvements to the code without necessarily adding features
#144 opened Jul 26, 2024 by psharma-sr Meeko Refactoring Project
@psharma-sr
NameError Encountered as Using mk_prepare_ligand.py with Argument --multimol_prefix
#142 opened Jul 26, 2024 by proline8314
2
Python Packaging Issues
#139 opened Jul 16, 2024 by xavierholt
6
mk_export embeds information in string enhancement New feature or request
#138 opened Jul 11, 2024 by mattholc
1
Meeko Documentation documentation Improvements or additions to documentation
#135 opened Jun 20, 2024 by psharma-sr Meeko Refactoring Project
Remove molsetup ring attributes that are not needed
#132 opened Jun 12, 2024 by diogomart Meeko Refactoring Project
@psharma-sr
Export entire receptor with updated positions of flexible sidechains
#131 opened Jun 11, 2024 by diogomart
Meeko CLI Revision enhancement New feature or request refactor Improvements to the code without necessarily adding features
#130 opened Jun 11, 2024 by psharma-sr Meeko Refactoring Project
Improve Test Coverage for JSON Encoders and Decoders good first issue Good for newcomers test coverage Increasing test coverage
#128 opened May 31, 2024 by psharma-sr Meeko Refactoring Project
nitriles are rotatable
#127 opened May 31, 2024 by diogomart
Non-covalent complex docking to a receptor using AutoDock suite of programs
#126 opened May 30, 2024 by Hariharan-Annadurai-bit
1
Error when converting molecules derived from multimolecular archives
#118 opened May 13, 2024 by davidoskky
1
Covalent docking using autodock gpu with ligand prepared by mk_prepare_ligand.py
#104 opened Apr 24, 2024 by lovenicole
11
TypeError: unsupported operand type(s) for *: 'object' and 'Forward'
#101 opened Apr 21, 2024 by HaoLan-compchem
4
centroid offsite atoms enhancement New feature or request
#95 opened Mar 27, 2024 by diogomart
mk_prepare_receptor
#77 opened Nov 13, 2023 by TommyBiomodellingAU
3
citation
#75 opened Nov 9, 2023 by tubiana
2
mk_prepare_ligand.py should return a non-0 exit code if it failed to create the output enhancement New feature or request
#64 opened Aug 14, 2023 by xrobin
enumerate rotamers of tertiary amides with different substituents enhancement New feature or request
#52 opened Jul 13, 2023 by diogomart
@mattholc
Missing name line in REMARK lines enhancement New feature or request
#50 opened Jun 27, 2023 by gkxiao
1
retaining unique atom names in the .pdbqt file enhancement New feature or request
#47 opened May 8, 2023 by alfredoq
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