Discussions

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  Acetyl lysine (ALY) fails to be recognized by pdb2pqr

  Aekith asked May 4, 2024 in Q&A · Unanswered

  

  

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  What to do when I have multiple occupancies?

  mysecondnameisdanger asked Feb 19, 2024 in Q&A · Unanswered

  

  

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  Extending PARSE and AMBER FF for non-standard amino-acids

  stefdoerr asked Nov 3, 2021 in Q&A · Answered

  

  

  

  

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  chelation sites

  joaomcteixeira asked Apr 12, 2023 in General · Closed · Unanswered

  

  

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  There are concatenated fields in PQR output

  wt12318 asked Mar 24, 2023 in General · Answered

  

  

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  hydrogen atoms with zero radius ?!

  UnixJunkie asked Mar 9, 2023 in Q&A · Unanswered

  

  

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  missing modified phosphorylated threonine residue (THP1)

  sau1978 asked Sep 2, 2022 in Q&A · Unanswered

  

  

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  use pd2pqr in python3 script

  EtienneReboul asked May 9, 2022 in General · Unanswered

  

  

  

  

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  Naming scheme at PDB2PQR online webserver

  srdjan125 asked Mar 30, 2022 in Q&A · Unanswered

  

  

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  THR phosphorylated

  alexmcff asked Mar 1, 2022 in Q&A · Unanswered

  

  

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  is potential positive on rna?

  mishaguy asked Jan 2, 2022 in General · Unanswered

  

  

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  How to effectively process multiple .pdb files?

  zyang20 asked Sep 17, 2021 in Q&A · Unanswered

  

  

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  3.2.0 (2021-08-04)

  sobolevnrm asked Aug 5, 2021 in General · Unanswered

  

  

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  Welcome to PDB2PQR Discussions!

  sobolevnrm asked Mar 19, 2021 in General · Unanswered

  

  

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