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27 Open 127 Closed
27 Open 127 Closed
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Issues list

restrict rdkit version to those that support mol.HasQuery()
#246 opened Nov 15, 2024 by diogomart
How to cite Meeko?
#236 opened Nov 12, 2024 by and-tos
1
Small problem with delete_atom or molsetup.Atom
#233 opened Nov 12, 2024 by rwxayheee
@rwxayheee
Remove python < 3.12 from setup.py, clarify prody installation from docs
#232 opened Nov 12, 2024 by diogomart
Report (raise warning or error for) lone hydrogens from bad input PDB
#231 opened Nov 11, 2024 by rwxayheee
@rwxayheee
1
Keep partial charges from mol2 ligand file
#224 opened Nov 5, 2024 by tcaceresm
1
Update polymer/chorizo padded molecule with positions from adjacent residue when there are multiple bonds between a pair of residues
#215 opened Oct 26, 2024 by diogomart
Cache templates downloaded from CCD
#209 opened Oct 23, 2024 by diogomart
@rwxayheee
add insertion code (icode) to BEGIN_RES keyword in flexres pdbqt
#201 opened Oct 15, 2024 by diogomart
write receptor json by default if flexres
#196 opened Oct 14, 2024 by diogomart
Include screening examples in doc documentation Improvements or additions to documentation enhancement New feature or request
#192 opened Oct 12, 2024 by rwxayheee
1 of 2 tasks
@rwxayheee
1
Use of mk_prepare_receptor.py instead of prepare_receptor in Vina basic docking
#169 opened Sep 19, 2024 by xavgit
1
Blunt sidechains for mk_prepare_receptor? enhancement New feature or request
#164 opened Sep 11, 2024 by rwxayheee
@rwxayheee
1
Can't serialize MoleculeSetup dihedrals to JSON
#151 opened Aug 14, 2024 by diogomart Meeko Refactoring Project
Covalent Docking
#146 opened Aug 8, 2024 by kunal19977835
23
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
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 v0.6.0
Remove molsetup ring attributes that are not needed
#132 opened Jun 12, 2024 by diogomart Meeko Refactoring Project
@psharma-sr
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
Covalent docking using autodock gpu with ligand prepared by mk_prepare_ligand.py
#104 opened Apr 24, 2024 by lovenicole
12
centroid offsite atoms enhancement New feature or request
#95 opened Mar 27, 2024 by diogomart
citation
#75 opened Nov 9, 2023 by tubiana
2
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