sdf2xyz2sdf

An open-source software to convert SDF files into TINKER XYZ files (and viceversa) with automatic assignment of MMFF94 atom types, bond types and charges

Features

Automatic assignment of MMFF atom and bond types
Works with multi-molecule SDF files
Works with V2000 and V3000 SDF files
Any format can be converted to TINKER XYZ through OpenBabel

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow sdf2xyz2sdf

sdf2xyz2sdf Web Site

Other Useful Business Software

Ship Agents Faster

Transform your applications and workflows into powerful agentic systems at global scale.

Gemini Enterprise Agent Platform lets you rapidly build, scale, govern and optimize production-ready agents grounded in your organization's data. The platform enables developers to build custom or pre-built agents for virtually any use case. New customers get $300 in free credits.

Get Started Free

Rate This Project

User Reviews

Be the first to post a review of sdf2xyz2sdf!

Additional Project Details

Languages

English

Intended Audience

Science/Research

User Interface

Command-line

Programming Language

Related Categories

C Molecular Science Software, C Chemistry Software, C Molecular Mechanics Software

Registered

2010-12-20

Similar Business Software

SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See 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
HSI Donesafe

HSI Donesafe is a no-code, cloud-based EHS software that simplifies safety, compliance, and risk management, transforming complex processes into user-friendly workflows. Trusted by industries worldwide, Donesafe allows organizations to track, manage, and report on essential EHS functions from...

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
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