Skip to content

Issues: forlilab/Meeko

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

26 Open 75 Closed
26 Open 75 Closed
Author
Filter by author
Label
Filter by label
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Milestones
Filter by milestone
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

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
Error when converting molecules derived from multimolecular archives
#118 opened May 13, 2024 by davidoskky
1
PDBQT parsing for receptors removes charge sign
#116 opened May 3, 2024 by bradakta
3
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
Water bond angle not correct
#100 opened Apr 19, 2024 by althea-hansel
3
centroid offsite atoms enhancement New feature or request
#95 opened Mar 27, 2024 by diogomart
GPF file prepared by Meeko
#87 opened Feb 25, 2024 by vsheg
2
merge_these_atom_types ignored when passed as json config to mk_prepare_ligand.py
#86 opened Feb 14, 2024 by diogomart
Reactive Docking - *.maps.fld is not generated and does not exist
#79 opened Nov 25, 2023 by guzh970630
6
mk_prepare_receptor
#77 opened Nov 13, 2023 by TommyBiomodellingAU
3
mk_prepare_ligand.py Issue
#76 opened Nov 10, 2023 by heqing-chriscao
6
citation
#75 opened Nov 9, 2023 by tubiana
2
Restored bonds and clashed waters present after ligand preparation
#73 opened Oct 28, 2023 by alissonws
5
'G' atom in pdbqt
#70 opened Sep 3, 2023 by lh12565
7
Problem with macrocycle docking
#67 opened Aug 29, 2023 by daoquangtung2411
4
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
ProTip! no:milestone will show everything without a milestone.