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Welcome to the EncoMPASS wiki! Here you will find information for developers of the Encompass database code and users of the local database. This wiki is a work in progress, and parts of it may still be under construction

Steps for running database build

Instructions for building the database are described in the Labguru protocol.
All other info should be in wiki pages - see sidebar.

Quick start

How to install, initialize the database, create python environments, and info about singularity containers. Includes a quick-reference for how to use locusts for HPC environments.

Navigating the database

Structure of the database filesystem, location of key files, dictionary versions and how to query them

Main code

Relevant info on code and functions for running the main steps in creating the EncoMPASS database.
See flowchart of main functions and flowcharts for symmetry steps for reference.

Reference info

File format conventions & parsing, e.g. mmCIF