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Replaced PPIIMoL.py
Replaced PPIIMoL.py with version including English docstring
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PPIIMoL.py

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"""
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PPIIMoL - PPII Helix Detector for PyMOL
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---------------------------------------
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This PyMOL plugin detects polyproline II (PPII) helices in protein structures using dihedral angles (phi/psi)
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and helps visualize relevant interactions with non-canonical hydrogen bonds.
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Main Features:
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- Load PDB files or fetch proteins by ID.
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- Calculate phi/psi angles for backbone atoms.
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- Automatically identify candidate PPII helices.
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- Visualize key atom distances and angles (CA–H–O).
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- Export CSV and PDB reports of detected segments.
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- User-friendly interface with Tkinter.
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Usage:
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- Run this script from PyMOL: `run PPIIMoL.py`
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- Launch the GUI with: `lanzar_interfaz()`
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- Alternatively, use core functions like: `detectar_segmentos_ppii("your_object")`
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Dependencies:
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- PyMOL with Python support
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- Python 3.x
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- Tkinter
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Authors:
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- Silvia Enma (2025), Instituto de Química-Física "Blas Cabrera" (CSIC)
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- GitHub: https://github.com/silviaenma/ppii-detector-pymol
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License:
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- GNU GPL v3
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Note:
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- This script was originally written in Spanish for internal lab use, but has been translated for the PyMOL community.
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"""
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from pymol import cmd, stored
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import tkinter as tk
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import math

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