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50 Open 221 Closed
50 Open 221 Closed
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Issues list

Error on charge computation for Residue ACE A 0 in Protein 1U19
#428 opened Feb 20, 2025 by yaideltg
No .pqr file ouput generated [PDB2PQR]
#426 opened Jan 19, 2025 by meowboon
Problem with whitespace in PQR file
#425 opened Jan 11, 2025 by sobolevnrm
2
Update build system to fail more quickly
#424 opened Dec 30, 2024 by sobolevnrm
6
Issue with Zn ion coordination residues in PDBtoPQR
#408 opened Nov 25, 2024 by SavanaMaria
Ligand parameterization
#401 opened Oct 27, 2024 by LucianoPenaTejo
Protonation of nonstandard residues not occurring
#399 opened Jul 23, 2024 by HeheHahaHoHoHo
2
Issue using APBS plugin on polysaccharides
#398 opened Jun 25, 2024 by NoaBinnes
Getting CRITICAL:Found gap in biomolecule structure for atom
#396 opened May 21, 2024 by Tonylac77
Ligand amide bond type not
#394 opened May 2, 2024 by and-tos
1
Pending Job Start
#393 opened May 2, 2024 by hillaryhe
6
pdb2pqr does not remove atoms as expected
#392 opened Mar 4, 2024 by CyberCatQ
Using pKa-ANI to compute titration states at a given pH?
#389 opened Feb 20, 2024 by sastrys1
2
Error to process neutral Cter of ASN
#386 opened Jan 24, 2024 by micmar15sr
2
Non-integer residue charge with PEOEPB
#381 opened Jan 1, 2024 by sobolevnrm
@sobolevnrm
Error in ligand processing
#376 opened Dec 13, 2023 by adventureneed
2
inputget error on alphafold structures
#375 opened Dec 8, 2023 by shaharsu
2
Caculating electrrostatic potential over distance
#374 opened Nov 29, 2023 by hanahg
4
pdb2pqr modifies the chain names
#373 opened Nov 28, 2023 by ndonyapour
4
ValueError: 'P' is not in list
#369 opened Aug 4, 2023 by GuhLelouch
2
Too far hydrogen generated from "charmmgui corrected" pdb?
#368 opened Jul 24, 2023 by jdandrade-gmx
3
Replace XML-format data files with YAML
#367 opened Jul 17, 2023 by sobolevnrm
producing pqr file for ligand only (not protein) - error message: ValueError: 'P' is not in list
#360 opened May 10, 2023 by evelyne-deplazes
5
naming inconsistency with CHARMM
#358 opened Apr 20, 2023 by pokhreln
@sobolevnrm
8
Pending job start
#357 opened Apr 16, 2023 by axm8099
4
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