Search results

pdb file

Status: Open.

#337 In openmm/pdbfixer;

· Tha57 opened on Aug 24, 2025

Adding new modified aminoacids

enhancement

Status: Open.

#335 In openmm/pdbfixer;

· andressanchezr4 opened on Jun 25, 2025

Fixing statistics

Status: Open.

#334 In openmm/pdbfixer;

· wangjiawen2013 opened on May 26, 2025

Application scenario of pdbfixer

Status: Open.

#333 In openmm/pdbfixer;

· wangjiawen2013 opened on May 26, 2025

Residues with various alternative locations remain in the structure

Status: Open.

#332 In openmm/pdbfixer;

· dargen3 opened on Apr 30, 2025

addMissingAtoms additional params

Status: Open.

#331 In openmm/pdbfixer;

· scschneider44 opened on Mar 25, 2025

PDBFixer problems with prepare_receptor4 from ADT

Status: Open.

#330 In openmm/pdbfixer;

· groponp opened on Mar 15, 2025

Non-unified processing of cysteine residues

Status: Open.

#326 In openmm/pdbfixer;

· beautifulpie opened on Mar 7, 2025

Remove use of cgi module

Status: Open.

#318 In openmm/pdbfixer;

· peastman opened on Nov 10, 2024

PDBFixer - in some cases added residues have amides with non-trans OCNH stereochemistry

bug

Status: Open.

#307 In openmm/pdbfixer;

· ivanicj opened on Sep 30, 2024

Weird coordinates and unable to add Hydrogens upon adding tyrosines

Status: Open.

#304 In openmm/pdbfixer;

· sukritsingh opened on Aug 20, 2024

Should PDBFixer write out SEQRES entries if provided in the input?

Status: Open.

#293 In openmm/pdbfixer;

· sukritsingh opened on Jun 6, 2024