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31 Open 140 Closed
31 Open 140 Closed
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Issues list

Skip writing boron-silicon-atom_par.dat from mk_prepare_receptor.py ; add the dat to JSON files in meeko/data/
#282 opened Dec 13, 2024 by rwxayheee
Excess (padding) hydrogens in the exported PDB from mk_export.py
#280 opened Dec 12, 2024 by rwxayheee
1
@rwxayheee
Name and suffix do not contribute to output filenames when output.output_filename is not None:mk_prepare_ligand.py outputs (overwrites) prepared covalent ligands at different residues to the same file
#278 opened Dec 11, 2024 by rwxayheee
1
@rwxayheee
1
Reduce overhead in preperation refactor Improvements to the code without necessarily adding features
#275 opened Dec 10, 2024 by rwxayheee
1
@rwxayheee
3
RuntimeError: expected only 1 added H per heavy atom, maybe deleted element had double bond to this heavy atom
#267 opened Dec 7, 2024 by accibio
1
7
Receptor charge from PQR enhancement New feature or request
#264 opened Dec 4, 2024 by rwxayheee
@rwxayheee
RecursionError: maximum recursion depth exceeded while getting the repr of an object installation
#260 opened Dec 1, 2024 by ivnsch
11
Support for metal atoms
#252 opened Nov 19, 2024 by frgoe003
1
@rwxayheee
6
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
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
1
@rwxayheee
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
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
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