gjf-to-xyz
OfficialConvert Gaussian gjf files to XYZ format.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Gaussian gjf input files are commonly used in computational chemistry but need to be converted into XYZ format for visualization and downstream workflows. This conversion saves manual reformatting and reduces errors.
Core Features & Use Cases
- Single-file conversion: convert one gjf file to XYZ quickly.
- Batch processing: convert many gjf files in a directory in one operation.
- Preserves coordinates: keeps atomic symbols and coordinates intact for accurate visualization.
Quick Start
Run the gjf2xyz.py script to convert a Gaussian gjf file to XYZ format.
Dependency Matrix
Required Modules
None requiredComponents
scripts
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: gjf-to-xyz Download link: https://github.com/InternScience/ChemClaw/archive/main.zip#gjf-to-xyz Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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