Blastermaster on C7

From DISI
Jump to navigation Jump to search

This page is for C7-specific notes on running Blastermaster for DOCK 3.8.

For general Blastermaster documentation, see Blastermaster, Blastermaster_files, and Blastermaster_(pydock3_script).


What Blastermaster does

Blastermaster prepares a receptor binding site for docking.

It takes receptor/ligand input files and creates the dockfiles directory used later by DOCK/SUBDOCK.

The final dockfiles directory is what docking needs. The working directory contains intermediate files.

Inputs

Typical required input files are:

rec.pdb
xtal-lig.pdb

Some workflows may use xtal-lig.mol2 instead.

Outputs

Important output directories:

working
dockfiles

dockfiles is the important directory for later docking.

For descriptions of the generated files, see Blastermaster_files.


...

[Category:Buyan]]