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Installation

Welcome to the installation guide for MCCE4-Alpha, a simulation tool for electrostatic simulations of biomolecular structures, along with its partner post-simulation tools repository MCCE4-Tools.
This guide will walk you through the entire setup for Linux OS.

MCCE4-Alpha Installation

There are two installation options for MCCE4-Alpha, an automated install and a compiled install.

Option A: Automated Installation with Script

  • Keep the provided mcce and delphi (alternate PBE solver) executables compiled for Linux OS;
  • Use the semi-automated setup using provided script that download a generic NGPB image and setup your environment. Note: ‘Option A’ should be tried first.

Option B: Manual Installation with Executable Compilation and Creation of a NGPB Image Optimized for your System

  • Compile mcce with or without that of delphi, and the creation of a NGPB image optimized for your platform.

This option is necessary if you cannot run a simulation with an installation made with Option A.

MCCE4-Tools Installation:

Instructions page

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