Blastermaster on C7: Difference between revisions
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(Created page with "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 direc...") |
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rec.pdb | rec.pdb | ||
xtal-lig.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]] | |||
Latest revision as of 21:42, 22 June 2026
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]]