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Pdb_viewer

作者:kosh.sch

A comprehensive pdb viewer, featuring pockets residuea, etc

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介绍

中文介绍正在准备中,下面暂时显示原文。

pdb_mod

Drop a .pdb / .ent structure file into a folder and build it in your world, block by block, atom by atom.

pdb_mod reads real Protein Data Bank files and voxelizes them into a space-filling (CPK-style) model made of colored wool — then lets you preview, move, and rotate the structure before placing it, Litematica-style. It also detects internal cavities (binding pockets) using a classic grid-based algorithm and marks them separately.

This is a visualization / education tool for looking at real molecular structures at a 1-block-per-voxel scale, not a chemistry simulator.

Features

  • Real PDB parsing — reads ATOM/HETATM records (coordinates, element) from standard .pdb/.ent files.
  • Space-filling model — each atom is expanded to its van der Waals radius and voxelized at 0.5 Å resolution, so the final shape reflects the molecule’s actual volume, not just its backbone.
  • Standard CPK coloring — element colors follow the standard Jmol/CPK reference palette, mapped to the closest of Minecraft’s 16 wool colors (H=white, C=light gray, N=blue, O=red, S=yellow, P=orange, halogens=lime, etc.).
  • Pocket / cavity detection — a LIGSITE-style algorithm (Hendlich, Rippmann & Barnickel, 1997) scans the empty voxels around the structure and flags enclosed cavities, rendered as light-blue stained glass so you can see where a ligand-binding pocket might be.
  • Litematica-style placement — spawning a molecule opens a movable/rotatable preview (shown as a particle wireframe) before you commit any blocks:
  • Arrow keys — move the structure (X/Z)
  • Page Up / Page Down — move up/down
  • R — rotate 90°
  • Enter — confirm and place
  • Backspace — cancel
  • In-game file picker — a scrollable GUI list of every .pdb/.ent file in your folder.
  • No hard atom cap — large structures (full proteins, multi-chain assemblies) are voxelized in full; very large files will take longer and place more blocks.

Usage

  1. Launch the game once so the mod creates its folder: .minecraft/pdbmod/
  2. Drop any .pdb / .ent file in there (e.g. from RCSB PDB).
  3. Open the picker in-game, pick a file, hit Spawn.
  4. Move/rotate the preview into position, then confirm to place.

Keybinds (rebindable in Controls)

| Key | Action |
|—|—|
| O | Open molecule picker |
| P | Quick-spawn last picked / first available molecule |
| Arrow keys | Move preview (horizontal) |
| Page Up / Page Down | Move preview (vertical) |
| R | Rotate preview 90° |
| Enter | Confirm placement |
| Backspace | Cancel placement |

Commands

  • /pdb scan — rescan the folder for files
  • /pdb list — list available files
  • /pdb open — open the picker GUI
  • /pdb spawn <name> — start a preview for a specific file
  • /pdb folder — print the folder path

Notes & limitations

  • Client-side only — no server installation needed, safe for singleplayer and any server that allows client-side mods.
  • 16 wool colors can’t distinguish every element 1:1 — some less-common atoms share a color (documented in the source).
  • Pocket detection is a simple grid-morphology heuristic, not a validated druggability tool — it doesn’t distinguish surface-accessible pockets from fully buried cavities, and won’t rank or score them the way fpocket/CASTp do. Treat it as “here’s a plausible cavity,” not a docking prediction.
  • Very large structures (thousands+ atoms) can take a noticeable moment to voxelize and place.

Requirements

  • Minecraft 1.21.11
  • Fabric Loader ≥ 0.18.1
  • Fabric API
  • Java 21+

常见问题

Pdb_viewer 支持哪些 Minecraft 版本?

Pdb_viewer 支持 Minecraft Java 版 1.21.11,可用的加载器:Fabric。下载时注意选择和你游戏版本一致的文件。

Pdb_viewer 怎么安装?

先用 PCL2 或 HMCL 启动器安装对应版本的 Fabric,再把下载的 .jar 文件放进游戏目录的 mods 文件夹,重新启动游戏即可。开启了版本隔离的,mods 文件夹在 versions/版本名 下面。运行环境:客户端和服务端都要装。

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