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44 Open 208 Closed
44 Open 208 Closed
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Issues list

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
update docutils please?
#371 opened Sep 8, 2023 by pgbarletta
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
6
Pending job start
#357 opened Apr 16, 2023 by axm8099
4
Run pdb2pqr as python library
#338 opened Feb 17, 2023 by dargen3
@sobolevnrm
1
Another no PQR file in outputs issue
#337 opened Feb 13, 2023 by lbizzio
@sobolevnrm
1
tetrahedral hydrogen reconstruction issue
#336 opened Feb 4, 2023 by sunghh44
Possible race condition in main.run_propka()
#334 opened Jan 19, 2023 by bradakta
3
PDB2PQR generates misaligned residue names for GLU (and possibly others)
#332 opened Dec 26, 2022 by sobolevnrm
@sobolevnrm
format problems
#331 opened Dec 7, 2022 by pineappleXmen
1
phospholipid problems
#323 opened Jul 27, 2022 by corbinsblack
OPM and pdb2pqr
#321 opened Jul 5, 2022 by khelmy55
5
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