dockingmt/devguide/validation/data/viewer_reference/candidate_notebook.json at main · uibcdf/dockingmt · GitHub

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{
  "date": "2026-10-03",
  "exit_code": 0,
  "source_profile": "candidate_source.json",
  "notebook": "viewer_reference.ipynb",
  "executed_code_cells": 4,
  "classification": "Python integration; provisional native Vina preparation; browser graphics not qualified",
  "cells": [
    {
      "cell_index": 1,
      "execution_count": 1,
      "stdout": [
        "{\n  \"python\": \"3.14.7\",\n  \"vina\": \"1.2.7\",\n  \"molsysmt_origin\": \"/home/diego/repos@uibcdf/dockingmt/.pytest_cache/codex-source-archives/dockingmt-template-provider-c19a47ada0c2279029abfa296cf915560610ad9a/molsysmt/__init__.py\",\n  \"molsysviewer_origin\": \"/home/diego/repos@uibcdf/dockingmt/.pytest_cache/codex-source-archives/dockingmt-viewer-pairing-candidate/molsysviewer/__init__.py\",\n  \"explicit_pairing\": true,\n  \"181l_sha256\": \"77018feaaa65bb22dea47c784e8c059b0ccc09cd6dc7442b79cce83f3170985f\"\n}\n"
      ]
    },
    {
      "cell_index": 2,
      "execution_count": 2,
      "stdout": [
        "{'poses': 3, 'preparation': 'provisional', 'seed': 42}\n"
      ]
    },
    {
      "cell_index": 3,
      "execution_count": 3,
      "stdout": [
        "{'pose_frames': 3, 'atoms_after_reload': 1301, 'reference_frames': 3, 'active_pose_rank': 1}\n"
      ]
    },
    {
      "cell_index": 4,
      "execution_count": 4,
      "stdout": [
        "{'rejected_reference': 'The reference must have 1 or 3 structures; got 4.'}\nFrame-count rejection occurs before scene replacement; source unchanged.\n"
      ]
    }
  ]
}