Discussions

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  Proteins with metal ions in the binding site

  agerexx asked Jul 3, 2024 in Q&A · Answered

  

  

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  can not use from_pkl function

  Lili-Cao asked Apr 9, 2024 in Q&A · Unanswered

  

  

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  how can I display the barcode fig in a subplot?

  Lili-Cao asked Apr 11, 2024 in Q&A · Unanswered

  

  

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  Please help me to resolve this error in prolif.

  Shivani8878 asked Apr 8, 2024 in Q&A · Unanswered

  

  

  

  

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  threshold for fp.plot_barcode().

  tjrong123 asked Nov 28, 2023 in Q&A · Answered

  

  

  

  

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  Can I get the fp from a concatenated dataframe ?

  Lili-Cao asked Apr 2, 2024 in Q&A · Unanswered

  

  

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  load and display protein structure

  Lili-Cao asked Mar 25, 2024 in Q&A · Unanswered

  

  

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  Default distance cut-off values for interactions: Can increase for long range?

  SampurnaM asked Mar 4, 2024 in Q&A · Closed · Unanswered

  

  

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  Hide an interaction/specific residue inclusively?

  ONISniperOne asked Dec 11, 2023 in Q&A · Answered

  

  

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  Visualization of hydrophobic interactions in 2D/3D

  ONISniperOne started Dec 11, 2023 in Ideas · Closed

  

  

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  What is the purpose of using guess bond or guess atom before calculating the fingerprint?

  tjrong123 asked Nov 28, 2023 in Q&A · Answered

  

  

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  could not save html from plot_lignetwork version 2

  tjrong123 asked Nov 27, 2023 in Q&A · Answered

  

  

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  Is it possible to track atoms and their interaction in docking poses after return_atom is removed.

  syedzayyan started Nov 6, 2023 in General · Closed

  

  

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  A plot of interactions over time is shown only in black and gray

  AbdulrahamnEid asked Aug 28, 2023 in Q&A · Unanswered

  

  

  

  

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  Fixed-length bitvectors

  jp43 asked Sep 24, 2023 in Q&A · Unanswered

  

  

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  Version 2 Fingerprint question. What does count=True do

  syedzayyan started Sep 8, 2023 in General

  

  

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  Fingerprinting only showing Van der Waals interactions

  diaghil asked Jul 12, 2023 in Q&A · Unanswered

  

  

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  Plotting interaction graphs from docking results

  Sumbul1631 started Jul 27, 2023 in General

  

  

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  How to use ProLIF to obtain a ligand interaction network without mda result ?

  pkrezel started May 23, 2023 in General

  

  

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  Fingerprinting only showing Hydrophobic Interactions

  davidcooper7 started Nov 6, 2022 in General

  

  

  

  

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  Non-canonical SMARTS pattern in _BaseIonic class

  radifar asked Feb 7, 2023 in Q&A · Unanswered

  

  

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  Error when i run fp.run_from_iterable([lig], prot).

  ravishankar1307 started Dec 22, 2022 in General

  

  

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  Same atom, multiple interactions

  Ciskio asked Oct 28, 2022 in Q&A · Answered

  

  

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  Empty dataframe

  rsexton2 asked Nov 1, 2022 in Q&A · Answered

  

  

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  Blank dataframe output when I generate the fingerprints

  shinoxide asked Oct 24, 2022 in Q&A · Unanswered

  

  

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