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how to download smi.anon file for placement in pipeline --sw_database

Status: Open.

#55 In matteoferla/Fragmenstein;

· JonasLi-19 opened on Mar 6, 2025

Make explicit that the apo template means without ligands

Status: Open.

#50 In matteoferla/Fragmenstein;

· matteoferla opened on Mar 18, 2024

Prepare Fragmenstein for bioisosteres

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#35 In matteoferla/Fragmenstein;

· matteoferla opened on Apr 3, 2023

Discard

Status: Open.

#34 In matteoferla/Fragmenstein;

· matteoferla opened on Mar 9, 2023

PyRosetta > openMM

enhancementNew feature or requestNew feature or request

Status: Open.

#33 In matteoferla/Fragmenstein;

· matteoferla opened on Feb 1, 2023

Minimized pdbs contain non pdb format lines at the end

Status: Open.

#32 In matteoferla/Fragmenstein;

· rsanchezgarc opened on Sep 8, 2022

Cleanup parameters

enhancementNew feature or requestNew feature or request

Status: Open.

#29 In matteoferla/Fragmenstein;

· matteoferla opened on Jun 29, 2022

Partial charges from hits

enhancementNew feature or requestNew feature or request

Status: Open.

#24 In matteoferla/Fragmenstein;

· matteoferla opened on May 10, 2022