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Using PMX for ΔΔG on a glycosylated Fc (P238D back-mutation; PDB 3WJJ): viable workflows?

Status: Open.

#59In deGrootLab/pmx;

· EidRashed opened on Oct 12, 2025

Does pmx support FEP calculation including carbohydrates (specifically NAG)?

Status: Open.

#58In deGrootLab/pmx;

· kva0987 opened on Aug 18, 2025

does pmx support proline mutation now?

Status: Open.

#57In deGrootLab/pmx;

· aixintiankong opened on Jun 24, 2025

AtomMapping script incorrectly assings hydrogens

Status: Open.

#54In deGrootLab/pmx;

· pbuslaev opened on May 23, 2025

Fix for 'SafeConfigParser' AttributeError in Versioneer

Status: Open.

#52In deGrootLab/pmx;

· ksy141 opened on Jan 5, 2025

Issue with Handling Topology Files with Three Columns in ligand_alchemy.py

Status: Open.

#50In deGrootLab/pmx;

· h28363231 opened on Nov 20, 2024

Add --no-mass-change flag to atomMapping script

Status: Open.

#49In deGrootLab/pmx;

· pbuslaev opened on Aug 20, 2024

Hydrogen mapping

Status: Open.

#47In deGrootLab/pmx;

· pbuslaev opened on Jul 31, 2024

Repartitioning dummy atom hydrogen mass

Status: Open.

#45In deGrootLab/pmx;

· DreamCykl opened on Mar 6, 2024

add special ions

Status: Open.

#44In deGrootLab/pmx;

· Lyn-666 opened on Mar 1, 2024

charmm36mut force field failed with Fatal error: Atom type ON2 (residue TPO) not found in atomtype database

Status: Open.

#43In deGrootLab/pmx;

· Lyn-666 opened on Jan 11, 2024

How to interpret wplots?

Status: Open.

#42In deGrootLab/pmx;

· DreamCykl opened on Jan 9, 2024