polypy

**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy **

Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.

Features

Shortest-path ring search using Franzblau statistics [Phys. Rev. B 44, 4925]
Output structures marked for visualization (see screenshots)
detect subgraphs; defect clusters; atom chains; neighbor shells
Progress bars!

Project Samples

graphene sheet with stone-wales and other defects

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow polypy

polypy Web Site

Other Useful Business Software

Go From AI Idea to AI App Fast

One platform to build, fine-tune, and deploy ML models. No MLOps team required.

Access Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.

Try Free

Rate This Project

User Reviews

Be the first to post a review of polypy!

Additional Project Details

Operating Systems

Linux

User Interface

Command-line, Console/Terminal

Programming Language

Python, Unix Shell

Related Categories

Unix Shell Molecular Science Software, Unix Shell Simulation Software, Unix Shell Physics Software, Python Molecular Science Software, Python Simulation Software, Python Physics Software

Registered

2010-10-11

Similar Business Software

QBench

The modern, flexible, easy-to-use LIMS. QBench enables our customers to get a LIMS up and running faster. Automate your entire lab with our developer-friendly API, Inventory Management, Customer Portal, Billing, and Quality Management System modules. QBench is a cloud-based Laboratory...

See Software
Lockbox LIMS

A sample tracking, test result capture, and inventory management cloud LIMS for life science research, biotech/NGS, and industrial QC labs. Includes regulatory support for CLIA, HIPAA, Part 11, and ISO 17025. Nothing is more critical to a lab’s success than the quality, security, and...

See Software
Innoslate

SPEC Innovations’ flagship model-based systems engineering solution can help your team reduce time-to-market, cost, and risk on even some of the most complex systems. This cloud or on-premise application uses a modern web browser, with an intuitive graphical user interface. Innoslate’s full...

See Software
Azore CFD

AzoreCFD has been a trusted, cutting-edge software tool since 2007. Azore focuses on analysis, design, engineering, and on obtaining precise, and quick results. Customers use Azore for applications that include: industrial flows, aerodynamics, thermal mixing, conjugate heat transfer, gas species...

See Software
Qualio

Qualio is the leading quality and compliance platform built exclusively for emerging life sciences companies. MedTech, pharma, biotech, and diagnostics teams use Qualio to standardize quality processes, connect them to regulatory obligations, and gain real-time visibility into compliance...

See Software
SAP S/4HANA Cloud Public Edition

SAP Cloud ERP is the premier ERP solution for growth-focused organizations. Seamlessly integrating AI, and predictive analytics, it empowers businesses to digitally transform and streamline processes end to end. Leveraging built-in industry best practices, SAP Cloud ERP accelerates...

See Software