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Commits on May 22, 2025

• Merge pull request #72 from forlilab/develop

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• added method description

  maylinnp

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• bug fix for parsing residue info

  maylinnp

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• add test for write flexres pdb

  maylinnp

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  9b50e99

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• remove multiprocess import

  maylinnp

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• update version and readme

  maylinnp

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• update change log

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• removed multiprocess from clustering

  maylinnp

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Commits on May 1, 2025

• Merge branch 'develop' of github.com:forlilab/Ringtail into develop

  maylinnp

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• checking to see if file and path are actual file and path, and if they exist, before queuing them up for multiprocessing

  maylinnp

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Commits on Apr 30, 2025

• improve speed for retrieving ligand info in large dbs

  maylinnp

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Commits on Apr 15, 2025

• bug fix: if just clustering without filtering could result in error

  maylinnp

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Commits on Mar 27, 2025

• Merge branch 'release' into develop

  maylinnp

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  1e0bc81

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• update docs and version

  maylinnp

  committed
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• bug fix for sdf export when db file name is full path

  maylinnp

  committed
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Commits on Mar 14, 2025

• Merge pull request #71 from forlilab/write_flexres_pdb

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  maylinnp

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• ensure flexres method

  maylinnp

  committed
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• Merge branch 'develop' into write_flexres_pdb

  maylinnp

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• Merge branch 'release' of github.com:forlilab/Ringtail into release

  maylinnp

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• add changelog to readme

  maylinnp

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• add changelog to readme

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• Merge pull request #70 from forlilab/develop

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  maylinnp

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  6f3c0f0

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• update version

  maylinnp

  committed
  d7795b6

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• add change log

  maylinnp

  committed
  20b4394

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• remove write_flexres_pdb from branch for bug release

  maylinnp

  committed
  7efe836

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• clarify bookmark handling if bookmark_name is not specified

  maylinnp

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Commits on Mar 13, 2025

• fixed typo in README.md

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  sforli

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• remove redundant rdkit import statement

  maylinnp

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Commits on Mar 10, 2025

• now displays receptor if receptor info is saved in database

  maylinnp

  committed
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• allow more time for pymol to open before calling it failed initialization

  maylinnp

  committed
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• added statement about speed for v2

  maylinnp

  committed
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• Merge pull request #69 from forlilab/dhg_flexres

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  maylinnp

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• update depreceated upload_artifact@v3 to v4

  maylinnp

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Commits on Mar 8, 2025

• clarify use of plot(save=True)

  maylinnp

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• error message for missing interaction includes atom

  maylinnp

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