Discussions

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  LLMs reproduce CCP4 AceDRG…

  wojdyr started Jan 26, 2026 in Show and tell

  

  

  

  

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  PDB to mmCIF

  glevans started Jan 22, 2026 in About wwPDB depositions · Closed

  

  

  

  

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  Assorted ideas

  wojdyr started Dec 19, 2024 in Ideas

  

  

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  Best way to make a gemmi.Model from scratch

  marinegor asked Nov 6, 2025 in Q&A · Closed · Answered

  

  

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  Creation of maps with structure properties - Electrostatic potential, charge, hydrophobicity/polarity, ...

  crisfbazz started Sep 18, 2025 in Ideas · Closed

  

  

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  CIF to CSV

  Ermiasmarino started Aug 8, 2025 in General · Closed

  

  

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  Metadata Lost When Loading, Modifying and Writing Structure

  katkanaz asked May 2, 2025 in Q&A · Answered

  

  

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  Modify structure and update mmcif block without losing existing mmCIF information?

  m-crown asked Apr 11, 2025 in Q&A · Answered

  

  

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  MTZ appendix for synchrotron metadata

  wojdyr started May 17, 2021 in Ideas

  

  

  

  

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  Polarization correction

  wojdyr started Jan 16, 2023 in Show and tell

  

  

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  Aligning Map and PDB coordinate systems

  vratins asked Nov 11, 2024 in Q&A · Unanswered

  

  

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  list of neighboring ASUs

  DHekstra started Sep 26, 2024 in General

  

  

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  gemmi has no (wrap_to_zero) anymore?

  lobnaOmar20 asked Sep 11, 2024 in Q&A · Closed · Answered

  

  

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  Converting from gemmi.cif.Block to gemmi.ReflnBLock

  LuisA92 asked Jun 6, 2024 in Q&A · Closed · Unanswered

  

  

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  Options for mtz2cif for capturing Rfree set (FREER column) information

  glevans asked Apr 27, 2024 in Q&A · Unanswered

  

  

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  how to cite gemmi library please

  lobnaOmar20 asked Feb 27, 2024 in Q&A · Closed · Unanswered

  

  

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  Exponential function for fast calculation of Gaussians

  wojdyr started Nov 1, 2023 in Show and tell

  

  

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  update_mmcif_block()

  lobnaOmar20 asked Sep 18, 2023 in Q&A · Closed · Answered

  

  

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  pdb to cif

  lobnaOmar20 asked Sep 13, 2023 in Q&A · Closed · Answered

  

  

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  [Python] Closing star/cif files after opening

  paulkorir asked Sep 14, 2023 in Q&A · Closed · Answered

  

  

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  Neighbor Search

  lobnaOmar20 asked Aug 21, 2023 in Q&A · Closed · Answered

  

  

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  simple pdb parsing

  lobnaOmar20 asked Aug 14, 2023 in Q&A · Closed · Unanswered

  

  

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  Are cif Documents from Structure and read directly from filesystem equal?

  hlvlad asked Dec 16, 2021 in Q&A · Closed · Answered

  

  

  

  

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  How can I fix the 'wrong row length' error when adding a row to a CIF file with the gemmi library in Python?

  lobnaOmar20 asked May 25, 2023 in Q&A · Closed · Answered

  

  

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  No atom within a given radius.

  sharma1420 asked Nov 22, 2022 in Q&A · Closed · Unanswered

  

  

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