Discussions

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  Convert APBS OpenDX Grid to XYZ Format

  sbembenek18 asked Oct 17, 2023 in General · Answered

  

  

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  How to implement interpolation in multivalue

  SangXH asked Sep 28, 2023 in Q&A · Unanswered

  

  

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  .dx files too large for 3Dmol.js

  akampen asked Aug 30, 2023 in Q&A · Answered

  

  

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  Question: How can I use a custom grid?

  egurapha asked Aug 30, 2023 in Q&A · Unanswered

  

  

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  Hardcoding APBS multigrid data format output

  AlexanderKocev asked May 2, 2023 in General · Unanswered

  

  

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  Electrostatic Potential surface

  dulalmondal123 asked May 4, 2023 in General · Unanswered

  

  

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  Units of ESP in DX file

  sbembenek18 asked Mar 27, 2023 in General · Answered

  

  

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  Segmentation Fault when trying to calculate Energy Density

  pagel-s asked Dec 20, 2022 in Q&A · Unanswered

  

  

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  [Question] Is ARM64 a supported architecture?

  emiliofernandes asked Oct 27, 2022 in General · Unanswered

  

  

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  Error parsing big files with negative coordinates (concatenated field)

  tubiana asked Apr 5, 2022 in General · Answered

  

  

  

  

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  apbs on large repeating biological assemblies

  Zlotka asked Jun 2, 2022 in Q&A · Unanswered

  

  

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  energy sensitive to grid

  tiejundong asked May 11, 2022 in Q&A · Answered

  

  

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  i met some installation promblems

  hpz1994 asked Feb 8, 2022 in Q&A · Unanswered

  

  

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  multithread APBS 3.0 for Win and APBS 3.0 for Mac

  mishaguy asked Jan 3, 2022 in Q&A · Answered

  

  

  

  

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  pKa calculation with FDPB(mg-auto) vs TABI-PB

  rwxayheee asked Nov 17, 2021 in Q&A · Answered

  

  

  

  

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  Does a closed cavity contribute to molecular (Connolly) surface or NanoShaper SES?

  rwxayheee asked Nov 29, 2021 in Q&A · Answered

  

  

  

  

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  Adding a dummy atom to the PQR file without interfering the calculation

  rwxayheee asked Nov 9, 2021 in Q&A · Unanswered

  

  

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  Impact of grid dimensions

  mmaldo520 asked Nov 8, 2021 in Q&A · Unanswered

  

  

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  Debye length when ionic strength = 0

  rwxayheee asked Nov 5, 2021 in Q&A · Unanswered

  

  

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  negative potentials on atoms of positively charged residues

  deekshatcb asked Nov 2, 2021 in Q&A · Unanswered

  

  

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  Questions about explicit waters, choice of force field

  rwxayheee asked Nov 1, 2021 in Q&A · Unanswered

  

  

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  PDB2PQR webserver not working for RNA molecules (with residue names RA, RC, RU, RG)

  srdjan125 asked Sep 28, 2021 in Q&A · Unanswered

  

  

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  Seeking any scripts to obtain numbers from a map.dx file

  limeiling-r asked Aug 26, 2021 in Q&A · Unanswered

  

  

  

  

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  generate proper characters of ion channel embeded in a membrane

  linda091021 asked Aug 24, 2021 in Q&A · Unanswered

  

  

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  PDB2PQR online webserver not working for nucleic acids

  srdjan125 asked Jun 28, 2021 in Q&A · Unanswered

  

  

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