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buildamol 1.2.12 documentation - Home buildamol 1.2.12 documentation - Home
  • Why BuildAMol?
  • Installation
  • Tutorials
  • API Documentation
  • Why BuildAMol?
  • Installation
  • Tutorials
  • API Documentation

Section Navigation

  • Getting Started
  • Building Workflow
  • Visualizing Molecules
  • Syntax Flavors
  • Conformational Optimization
  • External libraries
  • Built-in resources
  • Adding Resources
  • Creating Pseudo-Reactions
  • Reactivities (Functional Groups v2)
  • Functional Groups
  • Using Molecular Geometries
  • Molecular Derivatives
  • Biomolecules and BuildAMol
  • Glycosylating a protein
  • Automated Ligand Design Pipeline
  • Docking Ligands to Proteins
  • Building a Nanotube
  • Metal Organic Frameworks
  • Performing Molecular Dynamics
  • Conformational sampling
  • Creating a Solvation Box
  • Custom Modifiers
  • Making a Rotaxane (easy)
  • Making a Rotaxane (hard)
  • Circular Molecules
  • Building Polyphenylene
  • Building an irregular Dendrimer
  • Automated Molecule Generation - Making Fragment Library
  • Tutorials

Tutorials#

On this page you will find some tutorials on how to use BuildAMol. Feel free to browse through them to learn more.

Basic Usage#

Getting Started
Building Workflow
Visualizing Molecules
Syntax Flavors
Conformational Optimization
External libraries

Resource-oriented Tutorials#

Built-in resources
Adding Resources

BuildAmol and Chemistry#

Creating Pseudo-Reactions
Reactivities (Functional Groups v2)
Functional Groups
Using Molecular Geometries
Molecular Derivatives

BuildAmol and Biology#

Biomolecules and BuildAMol
Glycosylating a protein
Automated Ligand Design Pipeline
Docking Ligands to Proteins

BuildAmol and Materials#

Building a Nanotube
Metal Organic Frameworks

BuildAmol and Molecular Dynamics#

Performing Molecular Dynamics
Conformational sampling
Creating a Solvation Box

More applied tutorials#

Custom Modifiers
Making a Rotaxane (easy)
Making a Rotaxane (hard)
Circular Molecules
Building Polyphenylene
Building an irregular Dendrimer
Automated Molecule Generation - Making Fragment Library

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Installation

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Getting Started

On this page
  • Basic Usage
  • Resource-oriented Tutorials
  • BuildAmol and Chemistry
  • BuildAmol and Biology
  • BuildAmol and Materials
  • BuildAmol and Molecular Dynamics
  • More applied tutorials
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