PypKa
latest

Content

  • Pypka
  • Getting Started
    • Installation
    • pKa Calculation
    • MD Structure Preparation
    • Using a MD structure
    • Complete Parameters File Template
    • Main Features
  • Development
  • API Reference
  • Useful Links
PypKa
  • Docs »
  • Getting Started
  • Edit on GitHub

Getting StartedΒΆ

  • Installation
    • Via pip
    • Via Docker
  • pKa Calculation
    • API
    • CLI
  • MD Structure Preparation
  • Using a MD structure
  • Complete Parameters File Template
  • Main Features
    • Easy to Install
    • Easy to Use
    • API & CLI
    • Fast and accurate
    • Flexibility of Input Structures
    • Lipidic Systems Support
Next Previous

© Copyright 2021, Pedro B.P.S. Reis, Diogo Vila-Vicosa, Walter Rocchia, Miguel Machuqueiro Revision d6805d8e.

Built with Sphinx using a theme provided by Read the Docs.
Read the Docs v: latest
Versions
latest
refactoring2.0
Downloads
pdf
html
epub
On Read the Docs
Project Home
Builds
Free document hosting provided by Read the Docs.