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Add TER to blunt endings to make openMM happy, and explore other openMM integration issues

enhancementNew feature or requestNew feature or request

Status: Open.

#387 In forlilab/Meeko;

· diogomart opened on Aug 20, 2025

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v0.8.0

add option to pass sdf as residue template

enhancementNew feature or requestNew feature or request

Status: Open.

#385 In forlilab/Meeko;

· allisonbarkdull opened on Aug 18, 2025

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v0.8.0

Improve logging and output messages in general, wrapping common errors with helpful messages

enhancementNew feature or requestNew feature or request

Status: Open.

#384 In forlilab/Meeko;

· diogomart opened on Aug 16, 2025

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v0.8.0

Receptor preparation issue.

installation

Status: Open.

#382 In forlilab/Meeko;

· ecoman-droid opened on Aug 14, 2025

receptor preparation with membrane

questionFurther information is requestedFurther information is requested

Status: Open.

#378 In forlilab/Meeko;

· aashuph16221 opened on Aug 6, 2025

rdkit.Chem.rdDetermineBonds issue in receptor preparation

Status: Open.

#371 In forlilab/Meeko;

· PacaYang opened on Jul 11, 2025

Typo on this line should be coord1 no coor1

Status: Open.

#369 In forlilab/Meeko;

· ale94mleon opened on Jun 19, 2025

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v0.8.0

Receptor prepare

Status: Open.

#368 In forlilab/Meeko;

· Degax opened on Jun 15, 2025

Meeko ligand preparation fails on certain molecules with terminal triple bonds

Status: Open.

#364 In forlilab/Meeko;

· Chryzl opened on Jun 3, 2025

Report ligand ID & continue on batch ligand preparation error

enhancementNew feature or requestNew feature or request

Status: Open.

#362 In forlilab/Meeko;

· Billsfriend opened on May 9, 2025

· 

v0.7.0

Add docs on how to add templates for 9MXW

Status: Open.

#355 In forlilab/Meeko;

· diogomart opened on Apr 26, 2025

Do not forgive extra bonds by default (#347) - make it optional instead

Status: Open.

#354 In forlilab/Meeko;

· diogomart opened on Apr 26, 2025

· 

v0.7.0